- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 45.3:
      O   HA    MET   11 - HN    MET   11   2.69 +/- 0.27  97.691% * 99.3074% (0.95  10.0   3.37  45.35) =  99.998%  kept
          HA    ALA   12 - HN    MET   11   5.27 +/- 0.40   2.289% *  0.0762% (0.73   1.0   0.02  12.08) =   0.002%
          HA    GLU-  14 - HN    MET   11  11.60 +/- 0.80   0.020% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.61 +/- 2.35   0.000% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.87 +/- 2.57   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  32.52 +/- 2.31   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  31.26 +/- 3.61   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  34.83 +/- 2.69   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  37.38 +/- 3.18   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  39.14 +/- 3.14   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  34.83 +/- 2.30   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  41.43 +/- 4.21   0.000% *  0.0234% (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 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.558, support = 2.83, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.72 +/- 0.18  40.427% * 68.6590% (0.71  10.0   2.38  12.40) =  60.029%  kept
      O   HA    MET   11 - HN    ALA   12   2.54 +/- 0.11  59.512% * 31.0568% (0.32  10.0   3.50  12.08) =  39.971%  kept
          HA    GLU-  14 - HN    ALA   12   8.30 +/- 0.81   0.061% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.91 +/- 1.75   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  31.58 +/- 1.94   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  35.06 +/- 1.91   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.39 +/- 1.69   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  32.43 +/- 1.73   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  36.79 +/- 1.92   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.72, residual support = 5.19:
      O   HA    ALA   12 - HN    SER   13   2.52 +/- 0.31  97.896% * 97.9874% (0.14  10.0   1.72   5.19) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.97 +/- 0.46   2.104% *  0.1670% (0.20   1.0   0.02   6.65) =   0.004%
          HA    PHE   59 - HN    SER   13  25.59 +/- 2.34   0.000% *  0.4440% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  32.34 +/- 1.59   0.000% *  0.8273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.92 +/- 1.72   0.000% *  0.4440% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  32.34 +/- 1.45   0.000% *  0.1302% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.6:
      O   QB    SER   13 - HN    SER   13   3.04 +/- 0.19  99.974% * 99.5044% (0.87  10.0   2.06   7.60) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  14.19 +/- 2.18   0.017% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  14.83 +/- 1.76   0.009% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  29.00 +/- 1.76   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.58 +/- 2.01   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  32.87 +/- 1.51   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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   2.57 +/- 0.07  99.737% * 99.5491% (0.81  10.0   5.47  50.05) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.13 +/- 0.17   0.224% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.17 +/- 0.88   0.018% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.61 +/- 1.08   0.009% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  15.37 +/- 1.39   0.003% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  15.50 +/- 1.33   0.002% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  13.62 +/- 1.44   0.007% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  21.93 +/- 1.34   0.000% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  22.05 +/- 2.03   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 76.8:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.03  99.167% * 98.8751% (0.36  10.0   5.49  76.78) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.68 +/- 0.08   0.625% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18   8.50 +/- 1.03   0.184% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  13.13 +/- 1.31   0.013% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  14.97 +/- 0.87   0.005% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  18.73 +/- 1.56   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  16.86 +/- 0.71   0.003% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  21.69 +/- 1.37   0.001% *  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 = 2.1, residual support = 6.65:
      O   HA    SER   13 - HN    GLU-  14   2.44 +/- 0.19  98.564% * 99.4257% (0.67  10.0   2.10   6.65) =  99.999%  kept
          HA    GLU-  15 - HN    GLU-  14   5.07 +/- 0.45   1.392% *  0.0994% (0.67   1.0   0.02   1.25) =   0.001%
          HA    GLN   17 - HN    GLU-  14   9.64 +/- 0.67   0.033% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  12.69 +/- 2.38   0.009% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  16.62 +/- 1.11   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  23.69 +/- 1.78   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.79 +/- 0.56   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.35 +/- 1.52   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  22.46 +/- 2.24   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  28.30 +/- 1.54   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 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   2.46 +/- 0.09  99.913% * 86.2144% (0.13   3.44  16.51) =  99.999%  kept
          HN    THR   39 - HN    GLY   16   8.74 +/- 1.64   0.084% *  0.5717% (0.15   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    GLY   16  16.84 +/- 1.33   0.001% *  3.6725% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  16.17 +/- 0.96   0.001% *  2.5452% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  22.44 +/- 2.26   0.000% *  3.4204% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  27.10 +/- 1.16   0.000% *  3.5758% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.29 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   2.46 +/- 0.09 100.000% * 99.8536% (1.00 10.00   3.44  16.51) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.90 +/- 1.01   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  23.29 +/- 1.05   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.477, support = 2.07, residual support = 6.07:
      O   HA    GLU-  15 - HN    GLY   16   2.53 +/- 0.16  98.037% * 76.7507% (0.47  10.0   2.06   6.01) =  99.454%  kept
          HA    GLN   17 - HN    GLY   16   4.97 +/- 0.08   1.825% * 22.6121% (0.97   1.0   2.89  16.51) =   0.545%  kept
          HA    SER   37 - HN    GLY   16   9.88 +/- 1.85   0.050% *  0.1563% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLY   16   9.17 +/- 0.51   0.053% *  0.0768% (0.47   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  10.36 +/- 1.45   0.027% *  0.0487% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.62 +/- 0.89   0.007% *  0.1083% (0.67   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  20.99 +/- 1.14   0.000% *  0.1522% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  19.54 +/- 1.37   0.001% *  0.0707% (0.44   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  27.54 +/- 1.16   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.762, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.69 +/- 0.16  53.228% * 12.6997% (0.90   0.02   0.02) =  68.870%  kept
          HA    VAL   70 - HN    GLY   16   7.04 +/- 1.03  42.837% *  6.1679% (0.44   0.02   0.02) =  26.918%  kept
          HA    LYS+  33 - HN    GLY   16  11.30 +/- 1.35   2.978% * 10.5138% (0.75   0.02   0.02) =   3.189%  kept
          HA    GLN   32 - HN    GLY   16  14.77 +/- 1.31   0.512% *  9.4500% (0.67   0.02   0.02) =   0.493%
          HA    GLU-  29 - HN    GLY   16  15.75 +/- 1.11   0.348% * 12.3380% (0.87   0.02   0.02) =   0.437%
          HB2   SER   82 - HN    GLY   16  24.96 +/- 1.50   0.020% * 13.2768% (0.94   0.02   0.02) =   0.027%
          HA    SER   48 - HN    GLY   16  25.19 +/- 1.48   0.019% * 12.6997% (0.90   0.02   0.02) =   0.025%
          HA    GLN  116 - HN    GLY   16  22.41 +/- 1.23   0.039% *  6.1679% (0.44   0.02   0.02) =   0.024%
          HA    ALA   88 - HN    GLY   16  27.68 +/- 1.31   0.010% *  9.9899% (0.71   0.02   0.02) =   0.011%
          HD2   PRO   52 - HN    GLY   16  28.08 +/- 1.65   0.010% *  6.6964% (0.47   0.02   0.02) =   0.007%
    Distance limit 3.43 A violated in 20 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.976, support = 5.07, residual support = 81.8:
      O   HA    GLN   17 - HN    GLN   17   2.90 +/- 0.02  58.279% * 95.5840% (0.99  10.0   5.17  84.31) =  97.080%  kept
          HA    GLU-  15 - HN    GLN   17   3.07 +/- 0.08  41.618% *  4.0263% (0.49   1.0   1.72   0.02) =   2.920%  kept
          HA    SER   13 - HN    GLN   17   9.48 +/- 0.60   0.052% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  11.94 +/- 1.65   0.017% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.27 +/- 0.80   0.011% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  11.32 +/- 1.29   0.020% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  19.24 +/- 1.17   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  17.61 +/- 1.37   0.001% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  25.80 +/- 1.21   0.000% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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  84.31) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  22.34 +/- 2.68   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  19.28 +/- 3.08   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  19.25 +/- 2.65   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  21.04 +/- 2.94   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.94 +/- 1.45   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  32.55 +/- 1.98   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.62 +/- 1.27   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  84.31) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  16.70 +/- 2.40   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.71 +/- 3.90   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  22.34 +/- 2.68   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.71 +/- 3.36   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 = 0.241, support = 3.29, residual support = 18.0:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.05  91.302% * 63.1619% (0.22  10.0   3.26  16.51) =  95.557%  kept
          HA    VAL   18 - HN    GLN   17   4.91 +/- 0.18   7.552% * 35.4671% (0.65   1.0   3.87  50.05) =   4.439%  kept
          HA    VAL   70 - HN    GLN   17   7.44 +/- 1.00   0.901% *  0.2831% (1.00   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    GLN   17   9.61 +/- 1.59   0.203% *  0.1493% (0.53   1.0   0.02   0.02) =   0.001%
          HA    LYS+  33 - HN    GLN   17  12.48 +/- 1.11   0.032% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  16.00 +/- 0.90   0.007% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  21.36 +/- 1.29   0.001% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  23.90 +/- 1.39   0.001% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  23.22 +/- 1.55   0.001% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.43:
          HA    LEU   73 - HN    ILE   19   2.09 +/- 0.43 100.000% *100.0000% (0.87   2.00   4.43) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 23.2:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.04  99.919% * 99.2246% (0.65  10.0   4.86  23.20) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   8.93 +/- 0.53   0.027% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.40 +/- 0.50   0.038% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  11.73 +/- 0.80   0.006% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  11.74 +/- 1.09   0.006% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  12.52 +/- 0.70   0.004% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  18.03 +/- 1.36   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  20.66 +/- 1.17   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  18.26 +/- 1.29   0.000% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 6.62, residual support = 171.6:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.03  99.952% * 99.7071% (0.87  10.0   6.62 171.55) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  10.81 +/- 0.39   0.038% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.24 +/- 0.34   0.007% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  19.54 +/- 1.30   0.001% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  19.37 +/- 1.05   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.58 +/- 0.86   0.000% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.04, residual support = 25.4:
      O   HA    ILE   19 - HN    ALA   20   2.33 +/- 0.06  99.973% * 99.7374% (0.97  10.0   5.04  25.43) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.55 +/- 0.66   0.024% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.39 +/- 0.48   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  21.01 +/- 1.36   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.38 +/- 0.87   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  26.16 +/- 0.78   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   2.91 +/- 0.02  99.888% * 99.9455% (0.97  10.0   3.14  15.23) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.22 +/- 0.73   0.112% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.75, residual support = 8.77:
        T HN    LYS+  74 - HN    CYS   21   2.56 +/- 0.51  99.922% * 99.2410% (0.76 10.00   3.75   8.77) = 100.000%  kept
          HN    THR   46 - HN    CYS   21  10.88 +/- 0.72   0.025% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.16 +/- 0.39   0.044% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.72 +/- 0.82   0.001% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  15.61 +/- 0.82   0.003% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  20.07 +/- 0.85   0.001% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  16.87 +/- 1.20   0.002% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  22.27 +/- 3.18   0.001% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  25.77 +/- 1.05   0.000% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  34.44 +/- 3.01   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 13.9:
      O   HA    ALA   20 - HN    CYS   21   2.22 +/- 0.02  99.991% * 99.8901% (0.95  10.0   2.86  13.95) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.70 +/- 0.49   0.008% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.31 +/- 0.96   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.79 +/- 1.00   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.76 +/- 1.14   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.91 +/- 1.20   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   2.76 +/- 0.03  99.992% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.73 +/- 0.87   0.007% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  20.49 +/- 1.16   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  22.64 +/- 0.75   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.64:
          HA    PHE   59 - HN    ASP-  62   3.50 +/- 0.31  99.101% * 92.4913% (0.52   1.50   6.64) =  99.988%  kept
          HA    ILE   56 - HN    ASP-  62   7.99 +/- 0.74   0.825% *  1.2332% (0.52   0.02   0.02) =   0.011%
          HA    LEU  123 - HN    ASP-  62  12.71 +/- 0.98   0.049% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  15.28 +/- 1.01   0.017% *  2.0287% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP-  62  18.28 +/- 0.73   0.006% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.52 +/- 0.59   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.01 +/- 0.87   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.41, residual support = 21.5:
          HN    THR   23 - HN    HIS   22   2.80 +/- 0.36  99.802% * 97.3359% (0.69   3.41  21.46) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   8.63 +/- 0.42   0.159% *  0.8293% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    HIS   22  11.42 +/- 0.86   0.031% *  0.1456% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  16.20 +/- 1.30   0.005% *  0.6035% (0.73   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  17.75 +/- 1.00   0.002% *  0.2565% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  23.56 +/- 1.22   0.000% *  0.8293% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.14:
          HA    ALA   20 - HN    HIS   22   5.03 +/- 0.06  99.773% * 62.6587% (0.95   0.02   5.15) =  99.945%  kept
          HA    LEU   71 - HN    HIS   22  14.05 +/- 0.51   0.215% * 14.7469% (0.22   0.02   0.02) =   0.051%
          HA    LYS+ 102 - HN    HIS   22  22.88 +/- 1.24   0.012% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.81 A violated in 20 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.684, support = 3.83, residual support = 14.0:
        T HN    THR   26 - HN    THR   23   4.19 +/- 0.31  91.557% * 95.2301% (0.69 10.00   3.85  14.11) =  99.556%  kept
          HN    LEU   80 - HN    THR   23   6.97 +/- 1.17   8.359% *  4.6568% (0.34  1.00   1.97   5.60) =   0.444%
          HN    ALA   34 - HN    THR   23  13.74 +/- 0.33   0.078% *  0.0346% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  20.89 +/- 1.42   0.007% *  0.0785% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 21.5:
        T HN    HIS   22 - HN    THR   23   2.80 +/- 0.36  99.149% * 99.9047% (0.99 10.00   3.41  21.46) =  99.999%  kept
          HN    ASP-  76 - HN    THR   23   7.41 +/- 0.82   0.851% *  0.0953% (0.95  1.00   0.02   0.02) =   0.001%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.82, residual support = 35.7:
        T HN    GLU-  25 - HN    VAL   24   2.58 +/- 0.07  99.393% * 99.8571% (0.98 10.00   7.82  35.71) = 100.000%  kept
          HN    ASN   28 - HN    VAL   24   6.08 +/- 0.20   0.602% *  0.0419% (0.41  1.00   0.02  11.28) =   0.000%
          HN    ASP-  44 - HN    VAL   24  13.53 +/- 0.69   0.005% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 7.82, residual support = 35.7:
        T HN    VAL   24 - HN    GLU-  25   2.58 +/- 0.07 100.000% *100.0000% (1.00 10.00   7.82  35.71) = 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 = 5.44, residual support = 29.0:
        T HN    THR   26 - HN    GLU-  25   2.90 +/- 0.05  99.999% * 99.9840% (0.97 10.00   5.44  29.04) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.83 +/- 0.57   0.001% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.42, residual support = 28.8:
        T HN    GLU-  25 - HN    THR   26   2.90 +/- 0.05  90.241% * 94.0810% (0.98 10.00   5.44  29.04) =  99.336%  kept
          HN    ASN   28 - HN    THR   26   4.23 +/- 0.13   9.751% *  5.8239% (0.41  1.00   2.95   0.02) =   0.664%  kept
          HN    ASP-  44 - HN    THR   26  14.05 +/- 0.54   0.007% *  0.0951% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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   2.58 +/- 0.07  99.990% * 98.4499% (0.99   4.44  22.20) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  14.64 +/- 1.26   0.004% *  0.2714% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.64 +/- 0.37   0.001% *  0.2894% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  16.67 +/- 1.84   0.002% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.14 +/- 0.30   0.003% *  0.1116% (0.25   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.04 +/- 0.97   0.000% *  0.3073% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  21.19 +/- 0.93   0.000% *  0.3419% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.01 +/- 1.65   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 = 0.957, support = 3.84, residual support = 14.2:
          HN    THR   23 - HN    THR   26   4.19 +/- 0.31  94.518% * 69.0242% (0.97   3.85  14.11) =  98.364%  kept
          HE3   TRP   27 - HN    THR   26   7.35 +/- 0.32   3.651% * 29.6276% (0.49   3.27  22.20) =   1.631%  kept
          HD2   HIS   22 - HN    THR   26   8.21 +/- 0.66   1.744% *  0.1667% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  18.08 +/- 0.98   0.017% *  0.3518% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  14.97 +/- 0.99   0.056% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  20.85 +/- 0.86   0.007% *  0.3433% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.94 +/- 1.88   0.006% *  0.2255% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  26.32 +/- 1.10   0.002% *  0.2105% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.05 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.843, support = 4.25, residual support = 50.9:
          HE3   TRP   27 - HN    TRP   27   4.87 +/- 0.28  28.820% * 70.5060% (1.00   5.34 100.04) =  50.144%  kept
          HN    THR   23 - HN    TRP   27   4.15 +/- 0.28  70.193% * 28.7818% (0.69   3.16   1.57) =  49.855%  kept
          HN    LYS+  81 - HN    TRP   27  10.79 +/- 0.65   0.245% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  10.76 +/- 1.82   0.433% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  16.00 +/- 0.97   0.023% *  0.1923% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  12.95 +/- 1.60   0.113% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.23 +/- 1.20   0.138% *  0.0057% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  18.84 +/- 0.78   0.008% *  0.0818% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  24.52 +/- 1.01   0.002% *  0.2643% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  17.61 +/- 1.04   0.013% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  19.14 +/- 0.88   0.008% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  21.31 +/- 0.98   0.004% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.04 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   2.58 +/- 0.07  99.997% * 99.8587% (0.97 10.00   4.44  22.20) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.88 +/- 0.57   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  21.19 +/- 0.93   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.99 +/- 0.84   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.30 +/- 0.53  99.374% * 91.0962% (0.12 10.00   6.75  32.35) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   7.10 +/- 1.90   0.592% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.51 +/- 1.55   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.51 +/- 0.72   0.016% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.49 +/- 1.44   0.001% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.49 +/- 1.06   0.014% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.38 +/- 1.00   0.000% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.54 +/- 1.64   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 4.92, residual support = 47.2:
        T HN    ASN   28 - HN    TRP   27   2.75 +/- 0.08  90.756% * 94.8425% (0.99 10.00   4.93  47.40) =  99.474%  kept
          HN    GLU-  25 - HN    TRP   27   4.03 +/- 0.11   9.219% *  4.9393% (0.38  1.00   2.75   0.31) =   0.526%  kept
          HN    ASP-  44 - HN    TRP   27  11.70 +/- 0.51   0.016% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.61 +/- 0.85   0.001% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.60 +/- 0.87   0.007% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.95 +/- 0.45   0.001% *  0.0466% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.97 +/- 1.05   0.001% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  24.47 +/- 1.04   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 1.99, residual support = 100.0:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.962% * 99.6421% (0.76  10.0   1.99 100.04) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.42 +/- 1.13   0.036% *  0.1297% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  17.27 +/- 1.26   0.001% *  0.1000% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  22.15 +/- 2.02   0.000% *  0.1282% (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 = 1.38, residual support = 100.0:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.989% * 99.8428% (0.45  10.0   1.38 100.04) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  13.31 +/- 1.03   0.011% *  0.1572% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.968, support = 4.79, residual support = 31.4:
          HN    GLU-  29 - HN    ASN   28   2.72 +/- 0.09  87.608% * 65.7464% (0.98   4.91  33.08) =  93.214%  kept
          HN    GLN   30 - HN    ASN   28   3.77 +/- 0.10  12.375% * 33.8817% (0.80   3.10   8.50) =   6.786%  kept
          HN    ASP-  86 - HN    ASN   28  12.00 +/- 0.79   0.013% *  0.2371% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  15.82 +/- 0.47   0.002% *  0.0370% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.08 +/- 1.18   0.001% *  0.0608% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.73 +/- 2.11   0.001% *  0.0370% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.93, residual support = 47.4:
          HN    TRP   27 - HN    ASN   28   2.75 +/- 0.08  99.954% * 98.6028% (0.99   4.93  47.40) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  12.24 +/- 1.37   0.016% *  0.2446% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  13.31 +/- 2.10   0.011% *  0.1514% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.56 +/- 0.26   0.011% *  0.1006% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  15.04 +/- 0.27   0.004% *  0.2609% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.61 +/- 0.85   0.001% *  0.3082% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  19.61 +/- 0.84   0.001% *  0.2770% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.19 +/- 1.72   0.002% *  0.0546% (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 = 0.413, support = 5.04, residual support = 47.2:
          HD1   TRP   27 - HN    ASN   28   3.81 +/- 0.49  96.694% * 83.3856% (0.41   5.07  47.40) =  99.368%  kept
          HE21  GLN   30 - HN    ASN   28   8.19 +/- 1.66   3.300% * 15.5465% (0.76   0.51   8.50) =   0.632%  kept
          QD    PHE   59 - HN    ASN   28  20.12 +/- 0.90   0.005% *  0.3291% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.99 +/- 1.76   0.001% *  0.7389% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.11 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.51, residual support = 94.4:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00  99.999% * 99.9543% (0.98  10.0   2.51  94.44) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  12.71 +/- 0.79   0.001% *  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 = 2.81:
          HA    GLU-  25 - HD21  ASN   28   4.44 +/- 0.10  98.709% * 96.5836% (1.00   1.27   2.81) =  99.988%  kept
          HA    SER   82 - HD21  ASN   28   9.90 +/- 1.08   1.190% *  0.8642% (0.57   0.02   0.02) =   0.011%
          HA    ILE   19 - HD21  ASN   28  14.20 +/- 0.36   0.095% *  1.4439% (0.95   0.02   0.02) =   0.001%
          HA    CYS   53 - HD21  ASN   28  22.46 +/- 1.17   0.006% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.19 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.67, residual support = 93.2:
      O   HA    ASN   28 - HN    ASN   28   2.78 +/- 0.03  92.354% * 85.9851% (0.84  10.0   5.70  94.44) =  98.714%  kept
          HA    THR   26 - HN    ASN   28   4.23 +/- 0.16   7.624% * 13.5714% (0.65   1.0   4.08   0.02) =   1.286%  kept
          HA    ALA   34 - HN    ASN   28  11.87 +/- 0.27   0.015% *  0.0993% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.32 +/- 2.54   0.006% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  24.06 +/- 0.83   0.000% *  0.0893% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  26.90 +/- 1.16   0.000% *  0.0974% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  26.36 +/- 1.46   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  29.25 +/- 1.58   0.000% *  0.0229% (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 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.905, support = 4.72, residual support = 94.0:
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.093% * 90.4766% (0.97  10.0   4.88 100.04) =  93.122%  kept
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  41.854% *  9.2758% (0.10  10.0   2.46  12.89) =   6.878%  kept
          HA    PRO   52 - HN    ALA   91  11.72 +/- 1.97   0.028% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  11.50 +/- 1.62   0.017% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.11 +/- 0.98   0.000% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.46 +/- 1.71   0.006% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.34 +/- 0.80   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.89 +/- 0.96   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.63 +/- 1.35   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  28.08 +/- 0.80   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.24 +/- 0.24  99.899% * 99.0015% (0.99   4.44  22.20) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.26 +/- 0.85   0.041% *  0.0788% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  20.41 +/- 0.85   0.002% *  0.4342% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.04 +/- 1.10   0.052% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  20.03 +/- 0.90   0.002% *  0.0536% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  28.13 +/- 0.94   0.000% *  0.3267% (0.73   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  20.15 +/- 1.59   0.002% *  0.0404% (0.09   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  21.72 +/- 0.86   0.001% *  0.0551% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.06 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  24.83 +/- 0.80 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 20.55 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.206, support = 4.3, residual support = 34.8:
      O   HB    THR   26 - HN    THR   26   2.07 +/- 0.18  96.227% * 21.3631% (0.15  10.0   4.16  35.62) =  87.438%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.01   3.767% * 78.3875% (0.57  10.0   5.27  29.04) =  12.562%  kept
          HA    SER   82 - HN    THR   26  13.04 +/- 1.04   0.002% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.44 +/- 0.46   0.004% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  22.27 +/- 0.98   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  23.98 +/- 1.23   0.000% *  0.0214% (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 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.631, support = 3.01, residual support = 6.28:
          HB    THR   23 - HN    GLU-  25   2.86 +/- 0.38  88.288% * 29.5944% (0.53   2.84   6.28) =  76.844%  kept
          HA    THR   23 - HN    GLU-  25   4.16 +/- 0.21  11.303% * 69.6478% (0.98   3.58   6.28) =  23.153%  kept
          HA    LEU   80 - HN    GLU-  25   7.55 +/- 0.77   0.401% *  0.2724% (0.69   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    GLU-  25  14.10 +/- 0.67   0.008% *  0.3751% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  25.08 +/- 1.06   0.000% *  0.1103% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.9, residual support = 127.7:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.02  99.959% * 99.7793% (0.87  10.0   5.90 127.75) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.73 +/- 1.18   0.035% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.88 +/- 0.40   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  23.80 +/- 1.16   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.714, support = 5.05, residual support = 25.3:
      O   HA    THR   23 - HN    VAL   24   2.33 +/- 0.11  75.722% * 92.1945% (0.73  10.0   5.04  25.29) =  97.519%  kept
          HB    THR   23 - HN    VAL   24   2.97 +/- 0.37  23.311% *  7.6175% (0.22   1.0   5.39  25.29) =   2.480%  kept
          HA    LEU   80 - HN    VAL   24   5.24 +/- 0.79   0.960% *  0.0433% (0.34   1.0   0.02  11.06) =   0.001%
          HA    ASP-  78 - HN    VAL   24  11.59 +/- 0.68   0.005% *  0.1225% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  12.75 +/- 0.71   0.003% *  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 = 0.701, support = 3.26, residual support = 19.1:
      O   HA    THR   23 - HN    THR   23   2.88 +/- 0.03  83.389% * 37.7551% (0.61  10.0   3.04  19.15) =  75.829%  kept
      O   HB    THR   23 - HN    THR   23   3.79 +/- 0.07  16.157% * 62.1094% (1.00  10.0   3.95  19.15) =  24.170%  kept
          HA    LEU   80 - HN    THR   23   7.29 +/- 0.80   0.438% *  0.0589% (0.95   1.0   0.02   5.60) =   0.001%
          HA    ASP-  78 - HN    THR   23  12.09 +/- 0.60   0.016% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  24.00 +/- 0.78   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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   6.80 +/- 0.08  99.026% * 46.5057% (0.73   0.02   0.02) =  98.882%  kept
          HA    LEU   71 - HN    THR   23  14.75 +/- 0.50   0.974% * 53.4943% (0.84   0.02   0.02) =   1.118%  kept
    Distance limit 3.85 A violated in 20 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 14.1:
          HB    THR   26 - HN    THR   23   3.47 +/- 0.29  99.931% * 98.3522% (0.99   2.25  14.11) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.46 +/- 1.00   0.065% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  19.25 +/- 1.16   0.004% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  28.51 +/- 0.90   0.000% *  0.6411% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.51, residual support = 94.4:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.911% * 99.7763% (0.98  10.0   2.51  94.44) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   7.32 +/- 3.77   0.088% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.11 +/- 0.94   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  19.65 +/- 0.83   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  24.36 +/- 0.85   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 = 4.91, residual support = 33.1:
        T HN    ASN   28 - HN    GLU-  29   2.72 +/- 0.09  99.237% * 99.7796% (0.76 10.00   4.91  33.08) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.14 +/- 0.20   0.757% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  14.27 +/- 0.57   0.005% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.68 +/- 0.70   0.001% *  0.0258% (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 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.0, residual support = 48.3:
        T HN    LEU   31 - HN    GLN   30   2.43 +/- 0.06  99.993% * 98.4622% (0.73 10.00   7.00  48.33) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  27.54 +/- 0.94   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  17.50 +/- 0.69   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.27 +/- 1.14   0.005% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.44 +/- 0.89   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  18.15 +/- 1.87   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.08 +/- 0.66   0.000% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  26.88 +/- 0.98   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.59 +/- 0.93   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  26.44 +/- 0.77   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.76, residual support = 45.8:
        T HN    LEU   31 - HN    GLN   32   2.70 +/- 0.12  99.923% * 99.0995% (0.98 10.00   5.76  45.77) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   9.01 +/- 0.15   0.076% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  30.00 +/- 0.91   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.76 +/- 0.79   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  18.60 +/- 0.83   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  29.60 +/- 0.89   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.9:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.94) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  21.77 +/- 2.60   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  29.08 +/- 2.48   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  26.40 +/- 1.17   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  35.86 +/- 1.20   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 = 44.9:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.949% * 98.9152% (0.83  10.0 10.00   1.00  44.94) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.93 +/- 3.07   0.048% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.32 +/- 3.06   0.002% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  17.54 +/- 2.81   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  21.77 +/- 2.60   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.01 +/- 1.71   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  21.66 +/- 1.07   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  29.08 +/- 2.48   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  21.67 +/- 1.58   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.35 +/- 0.85   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  22.69 +/- 3.13   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  23.27 +/- 1.80   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  34.55 +/- 1.39   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.71 +/- 3.66   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  34.46 +/- 0.97   0.000% *  0.0860% (0.73   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 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 52.1:
          HN    GLU-  36 - HN    ASN   35   2.34 +/- 0.03  99.432% * 98.7867% (0.90   5.88  52.11) =  99.998%  kept
          HN    THR   39 - HN    ASN   35   5.60 +/- 0.18   0.546% *  0.3618% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    ASN   35  10.96 +/- 1.69   0.017% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.60 +/- 0.31   0.004% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  18.10 +/- 1.17   0.001% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.46 +/- 0.84   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.4:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.44) = 100.000%  kept
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.4:
      O   HA    ASN   35 - HN    ASN   35   2.84 +/- 0.01  99.809% * 99.5029% (0.98  10.0   4.55  55.44) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   9.87 +/- 0.92   0.069% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   9.00 +/- 0.37   0.102% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  12.46 +/- 1.15   0.017% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  17.24 +/- 1.81   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  23.54 +/- 2.00   0.000% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  27.94 +/- 0.89   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.72 +/- 0.91   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.46 +/- 1.09   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.4, residual support = 153.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.989% * 99.6989% (0.90  10.0   2.40 153.17) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.49 +/- 1.21   0.011% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  17.43 +/- 1.33   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  27.03 +/- 2.36   0.000% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 2.4, residual support = 153.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.40 153.17) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  14.49 +/- 2.77   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  23.33 +/- 1.89   0.000% *  0.0569% (0.53   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 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.199, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    LYS+  99   7.39 +/- 0.40  93.094% *  0.4257% (0.02   0.02   0.02) =  50.756%  kept
          HA    VAL   42 - HN    GLN   30  12.72 +/- 0.76   4.215% *  6.4793% (0.25   0.02   0.02) =  34.980%  kept
          HA    GLN   90 - HN    GLN   30  20.45 +/- 1.51   0.240% * 25.0767% (0.97   0.02   0.02) =   7.717%  kept
          HA    ALA  110 - HN    GLN   30  26.59 +/- 1.56   0.048% * 25.9267% (1.00   0.02   0.02) =   1.598%  kept
          HA    VAL  107 - HN    GLN   30  22.68 +/- 0.95   0.125% *  8.8635% (0.34   0.02   0.02) =   1.419%  kept
          HA    VAL  107 - HN    LYS+  99  14.55 +/- 0.25   1.667% *  0.5823% (0.02   0.02   0.02) =   1.243%  kept
          HA    PHE   55 - HN    GLN   30  29.10 +/- 0.95   0.027% * 21.7040% (0.84   0.02   0.02) =   0.746%  kept
          HA    ALA   91 - HN    GLN   30  23.76 +/- 0.87   0.092% *  5.7850% (0.22   0.02   0.02) =   0.680%  kept
          HA    ALA  110 - HN    LYS+  99  21.27 +/- 0.87   0.178% *  1.7034% (0.07   0.02   0.02) =   0.389%
          HA    GLN   90 - HN    LYS+  99  21.62 +/- 1.13   0.154% *  1.6475% (0.06   0.02   0.02) =   0.325%
          HA    PHE   55 - HN    LYS+  99  26.21 +/- 1.10   0.052% *  1.4259% (0.05   0.02   0.02) =   0.095%
          HA    ALA   91 - HN    LYS+  99  22.95 +/- 0.97   0.108% *  0.3801% (0.01   0.02   0.02) =   0.053%
    Distance limit 4.18 A violated in 20 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.787, support = 4.75, residual support = 39.5:
          HN    ALA   34 - HN    LYS+  33   2.52 +/- 0.09  57.845% * 79.0215% (0.90   4.63  44.50) =  84.274%  kept
          HN    GLN   32 - HN    LYS+  33   2.67 +/- 0.11  42.155% * 20.2343% (0.20   5.38  12.61) =  15.726%  kept
          HN    LEU   80 - HN    LYS+  33  17.30 +/- 0.78   0.001% *  0.3671% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  28.40 +/- 1.06   0.000% *  0.3770% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.4:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.44) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  21.00 +/- 1.37   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  19.05 +/- 2.49   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  18.53 +/- 1.41   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.18 +/- 1.49   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.59 +/- 1.74   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 = 52.1:
        T HN    ASN   35 - HN    GLU-  36   2.34 +/- 0.03  99.995% * 99.7986% (0.99 10.00   5.88  52.11) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.68 +/- 0.84   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  19.25 +/- 2.80   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.331, support = 3.77, residual support = 15.6:
          HN    GLU-  36 - HN    SER   37   2.47 +/- 0.08  88.412% * 32.9912% (0.25   3.97  18.94) =  79.583%  kept
          HN    THR   39 - HN    SER   37   3.49 +/- 0.10  11.577% * 64.6380% (0.65   3.00   2.74) =  20.417%  kept
          HN    TRP   27 - HN    SER   37  15.19 +/- 0.35   0.002% *  0.6602% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.12 +/- 1.48   0.008% *  0.0901% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  19.56 +/- 2.28   0.000% *  0.2500% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  20.94 +/- 1.14   0.000% *  0.4040% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.08 +/- 0.79   0.000% *  0.4575% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  27.95 +/- 0.75   0.000% *  0.5090% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.933, support = 5.21, residual support = 22.4:
          HN    THR   39 - HN    LYS+  38   2.74 +/- 0.08  84.380% * 83.3047% (0.95   5.33  23.16) =  96.633%  kept
          HN    GLU-  36 - HN    LYS+  38   3.63 +/- 0.06  15.580% * 15.7211% (0.57   1.68   0.63) =   3.367%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.62 +/- 1.39   0.036% *  0.1239% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.12 +/- 0.30   0.002% *  0.2524% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  20.74 +/- 1.25   0.000% *  0.3048% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  19.04 +/- 2.37   0.001% *  0.0447% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.07 +/- 0.77   0.000% *  0.1126% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.62 +/- 0.79   0.000% *  0.1358% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 51.4:
      O   HA    ASN   35 - HN    GLU-  36   3.57 +/- 0.01  88.415% * 83.8590% (0.38  10.0   4.70  52.11) =  97.808%  kept
          HA    SER   37 - HN    GLU-  36   5.04 +/- 0.07  11.202% * 14.8301% (0.38   1.0   3.54  18.94) =   2.191%  kept
          HA    LEU   40 - HN    GLU-  36  10.17 +/- 0.27   0.168% *  0.2234% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  12.08 +/- 1.35   0.079% *  0.2114% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  36  11.23 +/- 0.83   0.104% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.16 +/- 2.21   0.016% *  0.2114% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  15.58 +/- 1.02   0.014% *  0.0839% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  24.40 +/- 2.07   0.001% *  0.1176% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.15 +/- 0.91   0.000% *  0.2156% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  25.06 +/- 0.54   0.001% *  0.1002% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  29.64 +/- 0.87   0.000% *  0.0919% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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  86.79) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.84 +/- 0.93   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.02 +/- 0.70   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  24.57 +/- 2.22   0.000% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.37, residual support = 27.5:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.764% * 99.4774% (0.97  10.0   4.37  27.54) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.69 +/- 0.15   0.144% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  10.74 +/- 1.50   0.063% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  14.18 +/- 1.21   0.009% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.08 +/- 2.27   0.009% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.43 +/- 0.23   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.89 +/- 0.49   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.29 +/- 0.90   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.46 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  18.94) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.20 +/- 0.94   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  24.85 +/- 0.59   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.79, residual support = 18.4:
      O   HA    SER   37 - HN    LYS+  38   3.43 +/- 0.01  98.958% * 99.2058% (0.73  10.0   4.79  18.42) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.54 +/- 0.11   0.877% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  11.69 +/- 1.49   0.093% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  14.61 +/- 1.26   0.019% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  16.32 +/- 2.23   0.013% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.84 +/- 0.23   0.036% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.86 +/- 0.45   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  26.25 +/- 0.85   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  21.71 +/- 2.26   0.002% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  28.51 +/- 1.04   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   4.22 +/- 0.03  99.980% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  21.53 +/- 2.41   0.008% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  20.09 +/- 0.86   0.009% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  25.11 +/- 0.73   0.002% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  32.17 +/- 0.98   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 38.5:
      O   HA    THR   39 - HN    THR   39   2.87 +/- 0.02  99.982% * 99.4345% (1.00  10.0   3.74  38.49) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.74 +/- 0.50   0.014% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.73 +/- 0.33   0.003% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.58 +/- 2.46   0.001% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  24.49 +/- 0.66   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  24.64 +/- 0.93   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  24.34 +/- 0.94   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  25.18 +/- 1.18   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.90 +/- 0.72   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 24.0:
      O   HA    THR   39 - HN    LEU   40   2.32 +/- 0.02  99.988% * 99.4345% (1.00  10.0   4.03  24.04) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.90 +/- 0.43   0.010% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.41 +/- 0.30   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  21.82 +/- 0.99   0.000% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  22.13 +/- 2.07   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  24.44 +/- 0.54   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.14 +/- 0.90   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.81 +/- 1.30   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  30.59 +/- 0.61   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 = 5.16, residual support = 100.9:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.02  96.259% * 99.4414% (1.00  10.0   5.16 100.86) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   4.97 +/- 0.40   3.382% *  0.0248% (0.25   1.0   0.02  12.70) =   0.001%
          HA    SER   37 - HN    LEU   40   8.28 +/- 0.13   0.143% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  10.37 +/- 1.27   0.048% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.72 +/- 0.32   0.108% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  10.50 +/- 1.55   0.046% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  14.68 +/- 2.28   0.010% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.41 +/- 1.56   0.003% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.88 +/- 0.89   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.00 +/- 0.37   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  22.95 +/- 1.20   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.52, residual support = 74.0:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.991% * 99.4222% (0.22  10.0   4.52  74.04) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.42 +/- 0.21   0.007% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  19.10 +/- 0.55   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.19 +/- 0.49   0.001% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 19.7:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.04  89.000% * 99.4414% (1.00  10.0   5.11  19.69) =  99.997%  kept
          HA    LYS+  99 - HN    VAL   41   3.29 +/- 0.40  10.952% *  0.0248% (0.25   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    VAL   41   8.49 +/- 0.29   0.030% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  12.48 +/- 0.96   0.003% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.82 +/- 0.25   0.007% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  11.67 +/- 1.45   0.005% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.56 +/- 2.11   0.001% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.00 +/- 0.96   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.21 +/- 0.95   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.79 +/- 0.23   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  20.62 +/- 1.30   0.000% *  0.0409% (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 = 5.24, residual support = 24.3:
        T HN    LEU   98 - HN    VAL   41   3.61 +/- 0.38 100.000% *100.0000% (0.97 10.00   5.24  24.34) = 100.000%  kept
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 0.233, residual support = 0.456:
          HA    PHE   72 - HN    VAL   42   4.36 +/- 0.74 100.000% *100.0000% (0.22   0.23   0.46) = 100.000%  kept
    Distance limit 4.10 A violated in 1 structures by 0.46 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.21, residual support = 25.0:
      O   HA    VAL   41 - HN    VAL   42   2.20 +/- 0.02  99.992% * 99.4222% (0.22  10.0   5.21  25.02) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  10.84 +/- 0.23   0.007% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  18.75 +/- 0.40   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.38 +/- 0.60   0.001% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.47, residual support = 89.4:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.811% * 99.6568% (0.87  10.0   5.47  89.39) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42   9.07 +/- 1.24   0.164% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.08 +/- 0.31   0.013% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.11 +/- 0.33   0.008% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  18.30 +/- 1.32   0.002% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.90 +/- 1.60   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  21.52 +/- 0.97   0.001% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.14, residual support = 40.4:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.03  99.989% * 99.7026% (1.00  10.0   5.14  40.43) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.61 +/- 0.22   0.005% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  12.41 +/- 0.96   0.004% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.65 +/- 1.11   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.31 +/- 0.47   0.001% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  15.96 +/- 1.46   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  19.58 +/- 0.95   0.000% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.275, support = 0.0199, residual support = 0.0199:
          HA    LYS+  74 - HN    ASP-  44   4.43 +/- 0.25  96.843% * 14.8724% (0.28   0.02   0.02) =  97.310%  kept
          HA    VAL   41 - HN    ASP-  44   8.01 +/- 0.38   2.920% * 10.5857% (0.20   0.02   0.02) =   2.088%  kept
          HA    MET   92 - HN    ASP-  44  13.69 +/- 0.76   0.122% * 46.3993% (0.87   0.02   0.02) =   0.383%
          HA    HIS  122 - HN    ASP-  44  13.91 +/- 0.82   0.115% * 28.1426% (0.53   0.02   0.02) =   0.218%
    Distance limit 3.63 A violated in 6 structures by 0.77 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.2:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.07  99.977% * 99.8182% (0.87  10.0   3.71  15.19) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.60 +/- 0.30   0.015% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.60 +/- 1.06   0.006% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  13.71 +/- 0.49   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.76, residual support = 37.7:
      O   HA    ASP-  44 - HN    ASP-  44   2.90 +/- 0.01  99.907% * 98.9185% (0.49  10.0   3.76  37.71) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  10.53 +/- 0.80   0.052% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  11.95 +/- 0.59   0.021% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  15.02 +/- 0.82   0.006% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.85 +/- 0.52   0.006% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  15.01 +/- 0.67   0.005% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.64 +/- 1.10   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.30 +/- 1.83   0.000% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  26.46 +/- 1.91   0.000% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.87 +/- 0.27  99.653% * 99.8815% (0.84 10.00   3.30  27.13) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.16 +/- 0.41   0.347% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.61, residual support = 80.4:
          QD    PHE   45 - HN    PHE   45   2.07 +/- 0.50  99.990% * 98.5395% (0.53   5.61  80.36) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  11.30 +/- 0.67   0.008% *  0.6439% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  16.51 +/- 1.28   0.001% *  0.6311% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  17.69 +/- 2.37   0.001% *  0.1855% (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   3.26 +/- 0.43 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.4:
      O   HA    PHE   45 - HN    PHE   45   2.93 +/- 0.01  99.941% * 99.9134% (0.99  10.0   4.00  80.36) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  11.76 +/- 0.24   0.024% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  11.42 +/- 0.63   0.030% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  15.13 +/- 0.69   0.005% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 18.9:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.02  99.813% * 99.3093% (1.00  10.0   4.04  18.87) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   7.89 +/- 1.08   0.094% *  0.0984% (0.99   1.0   0.02   9.46) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.06 +/- 1.28   0.079% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  12.94 +/- 0.63   0.003% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  12.90 +/- 0.62   0.003% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  12.71 +/- 0.38   0.003% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  14.14 +/- 0.60   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.46 +/- 0.66   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.43 +/- 0.29   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.77 +/- 1.22   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  30.51 +/- 2.06   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.38 +/- 1.93   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 = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.43 +/- 0.23  99.212% * 94.4404% (0.22   4.42  12.49) =  99.996%  kept
          HE22  GLN   90 - HN    THR   46  12.65 +/- 3.16   0.663% *  0.2964% (0.15   0.02   0.02) =   0.002%
          HD2   HIS  122 - HN    THR   46  15.20 +/- 0.85   0.069% *  1.8170% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  18.30 +/- 2.45   0.034% *  1.1650% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  19.10 +/- 1.64   0.020% *  1.8537% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  25.33 +/- 1.01   0.003% *  0.4276% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.74:
          HA    ASP-  76 - HN    THR   46   3.29 +/- 1.30  99.927% * 98.8093% (0.53   2.74   3.74) =  99.999%  kept
          HA    LEU   67 - HN    THR   46  15.99 +/- 0.96   0.073% *  1.1907% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 2 structures by 0.30 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   2.30 +/- 0.05  99.886% * 99.9017% (0.76  10.0   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   7.39 +/- 0.71   0.109% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  12.79 +/- 0.81   0.004% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.89 +/- 0.29   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   2.94 +/- 0.01  99.163% * 99.4016% (0.57  10.0   3.25  34.51) =  99.999%  kept
          HA    GLN   90 - HN    THR   46   8.22 +/- 2.54   0.782% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.17 +/- 0.17   0.020% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.82 +/- 2.17   0.022% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.88 +/- 0.59   0.009% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  16.64 +/- 1.22   0.003% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.05 +/- 0.52   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.29, residual support = 11.5:
          HN    THR   77 - HN    THR   46   2.66 +/- 0.92 100.000% *100.0000% (1.00   3.29  11.45) = 100.000%  kept
    Distance limit 4.59 A violated in 1 structures by 0.07 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.895, support = 2.35, residual support = 10.9:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.02  71.782% * 96.8065% (0.90  10.0   2.36  10.94) =  98.837%  kept
          HA    CYS   50 - HN    ALA   47   3.51 +/- 0.44  27.818% *  2.9393% (0.73   1.0   0.75   7.32) =   1.163%  kept
          HA    TRP   49 - HN    ALA   47   7.26 +/- 0.20   0.306% *  0.0568% (0.53   1.0   0.02  14.90) =   0.000%
          HA1   GLY  109 - HN    ALA   47  12.69 +/- 2.29   0.066% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.43 +/- 1.22   0.025% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  16.45 +/- 1.08   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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   2.61 +/- 0.03  99.729% * 99.4016% (0.57  10.0   3.07  12.67) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   9.08 +/- 2.83   0.216% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  10.77 +/- 0.53   0.022% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.54 +/- 2.68   0.031% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.68 +/- 0.15   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  19.18 +/- 1.51   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.92 +/- 0.65   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 = 0.834, support = 4.37, residual support = 15.4:
        T HN    TRP   49 - HN    SER   48   2.57 +/- 0.09  89.143% * 94.4461% (0.84 10.00   4.39  15.50) =  99.298%  kept
          HN    CYS   50 - HN    SER   48   3.66 +/- 0.11  10.848% *  5.4850% (0.61  1.00   1.60   0.02) =   0.702%  kept
          HN    VAL   83 - HN    SER   48  12.54 +/- 0.95   0.008% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.44 +/- 1.41   0.000% *  0.0465% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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   2.28 +/- 0.06  98.650% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    CYS   50 - HN    SER   48   5.36 +/- 0.13   0.601% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    SER   48   5.16 +/- 0.07   0.742% *  0.0585% (0.53   1.0   0.02  15.50) =   0.000%
          HA1   GLY  109 - HN    SER   48  14.30 +/- 2.03   0.003% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  13.51 +/- 1.24   0.003% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.06 +/- 1.36   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.95, residual support = 85.3:
          HD1   TRP   49 - HN    TRP   49   2.13 +/- 0.65  99.953% * 98.3069% (0.92   4.95  85.29) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  13.22 +/- 2.49   0.030% *  0.2782% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.41 +/- 0.74   0.014% *  0.1072% (0.25   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  17.58 +/- 1.94   0.001% *  0.3443% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  17.97 +/- 1.51   0.001% *  0.2954% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  21.58 +/- 0.78   0.001% *  0.4215% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  19.76 +/- 1.05   0.001% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.10 +/- 1.52   0.000% *  0.1614% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.05 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.39, residual support = 15.5:
        T HN    SER   48 - HN    TRP   49   2.57 +/- 0.09 100.000% *100.0000% (0.84 10.00   4.39  15.50) = 100.000%  kept
    Distance limit 3.64 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 = 0.973, support = 1.82, residual support = 6.82:
      O   HA    CYS   50 - HN    CYS   50   2.21 +/- 0.01  90.918% * 49.6446% (0.98  10.0   1.75   7.12) =  93.216%  kept
      O   HA    TRP   49 - HN    CYS   50   3.44 +/- 0.11   6.544% * 50.1815% (0.87  10.0   2.73   2.75) =   6.782%  kept
          HA    ALA   47 - HN    CYS   50   4.03 +/- 0.14   2.533% *  0.0328% (0.57   1.0   0.02   7.32) =   0.002%
          HA1   GLY  109 - HN    CYS   50  14.12 +/- 2.08   0.003% *  0.0558% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  13.88 +/- 1.13   0.002% *  0.0259% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.07 +/- 1.24   0.000% *  0.0397% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.40 +/- 0.85   0.000% *  0.0197% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 4.27, residual support = 83.4:
      O   HA    TRP   49 - HN    TRP   49   2.88 +/- 0.04  80.956% * 80.7615% (0.87  10.0   4.31  85.29) =  97.553%  kept
          HA    CYS   50 - HN    TRP   49   4.41 +/- 0.24   6.738% * 12.5478% (0.98   1.0   2.75   2.75) =   1.262%  kept
          HA    ALA   47 - HN    TRP   49   4.00 +/- 0.25  12.291% *  6.4634% (0.57   1.0   2.45  14.90) =   1.185%  kept
          HA1   GLY  109 - HN    TRP   49  14.68 +/- 1.97   0.008% *  0.0899% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.52 +/- 1.12   0.006% *  0.0417% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.19 +/- 1.37   0.001% *  0.0640% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  27.76 +/- 0.94   0.000% *  0.0318% (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 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.33, residual support = 85.3:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.977% * 99.6863% (0.92  10.0   2.33  85.29) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  12.40 +/- 2.64   0.021% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  19.58 +/- 2.40   0.001% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  19.43 +/- 2.13   0.001% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  21.93 +/- 1.23   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.67 +/- 1.77   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.39:
      O   HA    CYS   50 - HN    GLY   51   3.16 +/- 0.26  81.719% * 99.4352% (0.98  10.0   1.39   1.39) =  99.972%  kept
          HA    TRP   49 - HN    GLY   51   4.19 +/- 0.27  16.557% *  0.1264% (0.87   1.0   0.02   0.02) =   0.026%
          HA    ALA   47 - HN    GLY   51   6.22 +/- 0.84   1.690% *  0.0825% (0.57   1.0   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    GLY   51  13.69 +/- 2.28   0.022% *  0.1407% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  14.22 +/- 1.37   0.011% *  0.0654% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  21.74 +/- 1.25   0.001% *  0.1001% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.97 +/- 1.00   0.000% *  0.0497% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 2.76, residual support = 10.1:
      O   HA1   GLY   51 - HN    GLY   51   2.34 +/- 0.15  99.946% * 99.5416% (0.92  10.0   2.76  10.14) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51   9.15 +/- 0.79   0.036% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.44 +/- 0.79   0.014% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  14.68 +/- 1.53   0.002% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  15.06 +/- 0.70   0.001% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.37 +/- 1.58   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.26 +/- 1.00   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.37 +/- 0.97   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  31.08 +/- 0.70   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  38.88 +/- 3.72   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.18, residual support = 31.9:
        T HN    ARG+  54 - HN    CYS   53   2.69 +/- 0.10  99.988% * 99.1159% (0.98 10.00   6.18  31.95) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  12.54 +/- 0.85   0.012% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  25.34 +/- 1.03   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  30.93 +/- 0.94   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 6.18, residual support = 31.9:
        T HN    CYS   53 - HN    ARG+  54   2.69 +/- 0.10  99.984% * 99.6035% (0.85 10.00   6.18  31.95) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  12.54 +/- 0.85   0.012% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.51 +/- 1.87   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  16.90 +/- 1.48   0.002% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.57 +/- 0.64   0.001% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  25.96 +/- 1.26   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  28.84 +/- 0.74   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  21.52 +/- 0.90   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.343, support = 0.02, residual support = 0.02:
          HN    TRP   87 - HN    ARG+  54  19.65 +/- 1.24   7.823% * 29.7440% (0.69   0.02   0.02) =  30.644%  kept
          HD21  ASN   69 - HN    ASP-  62  14.81 +/- 1.72  38.298% *  5.8573% (0.14   0.02   0.02) =  29.541%  kept
          HN    GLN   17 - HN    ASP-  62  14.29 +/- 1.26  45.081% *  4.3392% (0.10   0.02   0.02) =  25.760%  kept
          HD21  ASN   69 - HN    ARG+  54  25.89 +/- 1.89   1.261% * 31.3037% (0.72   0.02   0.02) =   5.199%  kept
          HN    TRP   87 - HN    ASP-  62  20.03 +/- 0.64   6.101% *  5.5654% (0.13   0.02   0.02) =   4.472%  kept
          HN    GLN   17 - HN    ARG+  54  25.37 +/- 1.41   1.435% * 23.1904% (0.54   0.02   0.02) =   4.383%  kept
    Distance limit 3.78 A violated in 20 structures by 8.60 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 = 19.8:
          HN    PHE   55 - HN    ILE   56   2.45 +/- 0.23  99.830% * 99.1177% (0.95   3.94  19.80) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.76 +/- 0.59   0.032% *  0.1641% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.07 +/- 0.22   0.089% *  0.0200% (0.04   0.02   5.16) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  10.02 +/- 3.80   0.047% *  0.0087% (0.02   0.02   1.89) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.26 +/- 0.78   0.000% *  0.4611% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  25.65 +/- 0.85   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  21.41 +/- 2.01   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  18.50 +/- 0.79   0.001% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.2, residual support = 33.5:
          HN    ALA   57 - HN    ILE   56   2.99 +/- 0.85  99.015% * 99.0174% (0.87   5.20  33.50) =  99.998%  kept
          HE21  GLN  116 - HN    ILE   56  11.06 +/- 2.20   0.539% *  0.3516% (0.80   0.02   0.02) =   0.002%
          HE21  GLN   90 - HZ2   TRP   87  12.47 +/- 2.44   0.410% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  13.81 +/- 1.03   0.021% *  0.1805% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  17.03 +/- 1.66   0.008% *  0.3938% (0.90   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  19.52 +/- 1.32   0.004% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.37 +/- 2.29   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.81 +/- 1.44   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 4 structures by 0.30 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 124.4:
      O   HA    ILE   56 - HN    ILE   56   2.87 +/- 0.07  99.207% * 95.8570% (0.15  10.0   5.05 124.40) =  99.996%  kept
          HA    PRO   58 - HN    ILE   56   7.44 +/- 0.46   0.360% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   7.74 +/- 0.52   0.296% *  0.4975% (0.80   1.0   0.02   0.02) =   0.002%
          HA    VAL   42 - HZ2   TRP   87  10.27 +/- 2.04   0.105% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ILE   56  20.92 +/- 1.27   0.001% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  17.30 +/- 0.89   0.002% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.64 +/- 2.64   0.011% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.73 +/- 1.31   0.001% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  13.75 +/- 0.91   0.009% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  23.45 +/- 0.87   0.000% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  26.07 +/- 1.14   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  31.53 +/- 1.92   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  18.85 +/- 2.05   0.002% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  20.05 +/- 2.75   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  31.46 +/- 0.80   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  19.91 +/- 3.21   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  19.98 +/- 1.21   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.94 +/- 3.00   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.19 +/- 1.69   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.17 +/- 1.72   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.2, residual support = 33.5:
          HN    ILE   56 - HN    ALA   57   2.99 +/- 0.85  98.740% * 98.5736% (0.98   5.20  33.50) =  99.995%  kept
          HN    LEU   63 - HN    ALA   57   8.68 +/- 0.82   0.776% *  0.3571% (0.92   0.02   0.02) =   0.003%
          HN    LYS+ 111 - HN    ALA   57  10.06 +/- 2.40   0.473% *  0.3469% (0.90   0.02   0.02) =   0.002%
          HN    ALA   84 - HN    ALA   57  18.20 +/- 0.98   0.006% *  0.3469% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  19.52 +/- 1.32   0.004% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.42 +/- 0.93   0.001% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  32.26 +/- 1.28   0.000% *  0.1883% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 2 structures by 0.28 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 3.68, residual support = 19.2:
        T HN    PHE   60 - HN    PHE   59   2.77 +/- 0.10  99.774% * 97.7864% (0.47 10.00   3.68  19.22) = 100.000%  kept
        T HN    THR  118 - HN    PHE   59   9.70 +/- 0.48   0.057% *  0.6051% (0.29 10.00   0.02  11.14) =   0.000%
          HN    GLN  116 - HN    PHE   59   8.37 +/- 1.03   0.169% *  0.0282% (0.14  1.00   0.02   0.30) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  22.21 +/- 1.58   0.000% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.256, support = 4.81, residual support = 57.1:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.04  77.779% * 86.5232% (0.24  10.0   4.97  58.62) =  96.068%  kept
          HA    ILE   56 - HN    PHE   59   3.68 +/- 0.77  22.199% * 12.4088% (0.69   1.0   0.99  19.87) =   3.932%  kept
          HA    ASP- 113 - HN    PHE   59  11.84 +/- 1.21   0.015% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.80 +/- 0.69   0.005% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.27 +/- 0.92   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.60 +/- 0.91   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  26.27 +/- 0.71   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.48, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.70 +/- 0.20  99.900% * 99.2309% (0.76  10.0   4.48  24.31) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.11 +/- 1.08   0.055% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.55 +/- 1.16   0.032% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  12.95 +/- 0.96   0.009% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  17.83 +/- 1.16   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.60 +/- 1.57   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  20.08 +/- 1.28   0.001% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  25.06 +/- 1.30   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  34.34 +/- 3.51   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 4.64, residual support = 33.5:
      O   HA    ILE   56 - HN    ALA   57   2.91 +/- 0.36  95.169% * 99.5094% (0.99  10.0   4.64  33.50) =  99.998%  kept
          HA    PRO   58 - HN    ALA   57   4.90 +/- 0.29   4.809% *  0.0342% (0.34   1.0   0.02  24.56) =   0.002%
          HA    ASP- 113 - HN    ALA   57  12.73 +/- 1.12   0.018% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.24 +/- 1.16   0.003% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.59 +/- 1.53   0.001% *  0.0900% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  22.03 +/- 1.44   0.001% *  0.0489% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  28.23 +/- 1.38   0.000% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  23.87 +/- 1.42   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  29.23 +/- 2.27   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.74, residual support = 40.9:
        T HN    PHE   60 - HN    ALA   61   2.83 +/- 0.15  99.965% * 97.7864% (0.61 10.00   4.74  40.86) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.38 +/- 0.58   0.015% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  18.53 +/- 1.72   0.002% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  12.19 +/- 0.89   0.018% *  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 = 0.559, support = 4.65, residual support = 38.0:
          QD    PHE   60 - HN    ALA   61   3.15 +/- 0.58  86.244% * 49.7582% (0.57   4.77  40.86) =  93.039%  kept
          HN    PHE   59 - HN    ALA   61   4.71 +/- 0.20  11.231% * 24.5851% (0.41   3.24   0.19) =   5.986%  kept
          QE    PHE   59 - HN    ALA   61   7.04 +/- 1.10   1.772% * 25.2034% (0.80   1.71   0.19) =   0.968%  kept
          HN    LYS+  66 - HN    ALA   61   7.28 +/- 0.30   0.749% *  0.3614% (0.98   0.02   0.02) =   0.006%
          HN    LYS+  81 - HN    ALA   61  17.15 +/- 0.96   0.004% *  0.0919% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.959, support = 0.708, residual support = 0.688:
          HA    PRO   58 - HN    ALA   61   3.56 +/- 0.25  95.942% * 60.7964% (0.97   0.71   0.70) =  98.783%  kept
          HA    THR   46 - HN    ALA   61   7.06 +/- 1.02   2.359% * 29.9365% (0.45   0.75   0.02) =   1.196%  kept
          HA    ILE   56 - HN    ALA   61   7.58 +/- 0.79   1.580% *  0.7320% (0.41   0.02   0.02) =   0.020%
          HA    GLN   17 - HN    ALA   61  12.54 +/- 1.48   0.075% *  0.6683% (0.38   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.77 +/- 0.91   0.021% *  0.9368% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.52 +/- 0.93   0.007% *  1.7806% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   61  17.72 +/- 1.32   0.007% *  1.6844% (0.95   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  23.05 +/- 1.96   0.002% *  1.6844% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.60 +/- 0.91   0.005% *  0.4440% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.43 +/- 0.77   0.001% *  0.6683% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.22 +/- 0.89   0.001% *  0.6683% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.473, support = 1.84, residual support = 1.54:
          HA    ALA   57 - HN    ALA   61   5.07 +/- 0.91  84.607% * 47.7656% (0.41   1.99   1.77) =  86.453%  kept
          HA    ASP-  44 - HN    ALA   61   7.41 +/- 0.67  14.229% * 44.4256% (0.87   0.88   0.02) =  13.523%  kept
          HB    THR   77 - HN    ALA   61  12.61 +/- 0.84   0.559% *  1.0767% (0.92   0.02   0.02) =   0.013%
          HA1   GLY   51 - HN    ALA   61  14.52 +/- 0.79   0.231% *  0.8470% (0.73   0.02   0.02) =   0.004%
          HA    GLU-  79 - HN    ALA   61  15.63 +/- 1.24   0.168% *  1.0461% (0.90   0.02   0.02) =   0.004%
          HA    ILE  103 - HN    ALA   61  18.05 +/- 0.88   0.057% *  1.1433% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ALA   61  19.89 +/- 0.92   0.034% *  1.0767% (0.92   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  19.99 +/- 0.82   0.033% *  0.9743% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  14 - HN    ALA   61  19.67 +/- 1.94   0.045% *  0.1800% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  28.29 +/- 3.12   0.005% *  0.9743% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  21.41 +/- 0.80   0.022% *  0.2308% (0.20   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  25.19 +/- 2.72   0.010% *  0.2597% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 7 structures by 0.61 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.84, residual support = 42.4:
        T HN    ASP-  62 - HN    LEU   63   2.60 +/- 0.09  99.987% * 99.7221% (0.98 10.00   5.84  42.39) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.74 +/- 0.68   0.005% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  13.03 +/- 0.71   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.02 +/- 0.76   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.85 +/- 0.73   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 6.86, residual support = 54.5:
        T HN    ALA   64 - HN    LEU   63   2.73 +/- 0.12 100.000% *100.0000% (0.97 10.00   6.86  54.52) = 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 = 4.62, residual support = 27.9:
        T HN    LYS+  65 - HN    ALA   64   2.51 +/- 0.13 100.000% *100.0000% (0.97 10.00   4.62  27.90) = 100.000%  kept
    Distance limit 3.50 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 = 6.86, residual support = 54.5:
          HN    LEU   63 - HN    ALA   64   2.73 +/- 0.12  99.979% * 99.0104% (0.99   6.86  54.52) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.82 +/- 0.79   0.011% *  0.2754% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.83 +/- 1.71   0.003% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  15.90 +/- 1.27   0.003% *  0.1197% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  17.38 +/- 0.73   0.002% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  18.35 +/- 0.85   0.001% *  0.1766% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.84 +/- 1.02   0.000% *  0.0648% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.62, residual support = 27.9:
        T HN    ALA   64 - HN    LYS+  65   2.51 +/- 0.13 100.000% *100.0000% (0.67 10.00   4.62  27.90) = 100.000%  kept
    Distance limit 3.38 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 = 6.11, residual support = 25.2:
          HN    LYS+  66 - HN    LYS+  65   2.50 +/- 0.17  99.455% * 99.3279% (0.68   6.11  25.22) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.40 +/- 0.50   0.403% *  0.1877% (0.39   0.02   0.10) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.62 +/- 1.09   0.087% *  0.2654% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.86 +/- 0.23   0.055% *  0.1363% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  19.81 +/- 0.84   0.000% *  0.0827% (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 = 1.01, residual support = 3.77:
          HA    ASP-  62 - HN    LYS+  65   3.35 +/- 0.13  99.983% * 96.2445% (0.67   1.01   3.77) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.47 +/- 0.85   0.011% *  1.4410% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  18.37 +/- 1.31   0.004% *  1.9669% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  22.98 +/- 0.59   0.001% *  0.3475% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.11, residual support = 25.2:
        T HN    LYS+  65 - HN    LYS+  66   2.50 +/- 0.17 100.000% *100.0000% (0.97 10.00   6.11  25.22) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 112.2:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.03  99.999% * 99.9389% (0.97  10.0   5.07 112.19) = 100.000%  kept
          HA    LYS+  81 - HN    LYS+  66  21.46 +/- 0.53   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  66  23.09 +/- 0.77   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 2.64, residual support = 47.4:
          HD22  ASN   28 - HE3   TRP   27   4.90 +/- 0.22  99.976% * 94.3193% (0.08   2.64  47.40) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  19.69 +/- 0.83   0.024% *  5.6807% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 2 structures by 0.54 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.83, residual support = 58.8:
      O   HA    LEU   67 - HN    LEU   67   2.63 +/- 0.20  99.963% * 99.9623% (1.00  10.0   5.83  58.76) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.74 +/- 1.00   0.031% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  14.79 +/- 0.90   0.003% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  15.21 +/- 1.26   0.003% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.46, residual support = 10.8:
      O   HA    LYS+  66 - HN    LEU   67   3.49 +/- 0.14  99.925% * 99.9186% (0.97  10.0   4.46  10.78) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.72 +/- 0.81   0.046% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  14.60 +/- 0.48   0.019% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  21.11 +/- 0.70   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  18.07 +/- 0.77   0.006% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  21.58 +/- 0.61   0.002% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 27.6:
        T HN    VAL   70 - HN    ASN   69   2.19 +/- 0.31  99.999% * 99.9644% (0.87 10.00   4.26  27.56) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  16.75 +/- 0.86   0.001% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.47, residual support = 61.1:
      O   HA    ASN   69 - HN    ASN   69   2.81 +/- 0.13  99.982% * 99.8231% (0.76  10.0   5.47  61.12) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  12.02 +/- 0.58   0.018% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  20.71 +/- 0.69   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 3.19, residual support = 61.1:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.9103% (0.52  10.0 10.00   3.19  61.12) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  14.61 +/- 1.93   0.000% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  27.96 +/- 1.41   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 = 3.19, residual support = 61.1:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.986% * 99.7566% (0.52  10.0   3.19  61.12) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.03 +/- 2.00   0.014% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  23.79 +/- 1.86   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  21.31 +/- 2.84   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.05, residual support = 48.0:
          QE    PHE   72 - HN    VAL   70   5.26 +/- 0.19  99.937% * 97.9143% (0.45   2.05  47.96) =  99.999%  kept
          HD22  ASN   28 - HN    VAL   70  18.22 +/- 0.75   0.063% *  2.0857% (0.98   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 9 structures by 0.90 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 27.6:
        T HN    ASN   69 - HN    VAL   70   2.19 +/- 0.31  99.989% * 99.8277% (0.76 10.00   4.26  27.56) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  10.72 +/- 0.36   0.011% *  0.0259% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.37 +/- 0.57   0.000% *  0.1236% (0.95  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  21.91 +/- 0.52   0.000% *  0.0229% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 27.6:
      O   HA    ASN   69 - HN    VAL   70   3.18 +/- 0.36  99.893% * 99.8197% (0.87  10.0   3.73  27.56) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  10.27 +/- 0.45   0.104% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  18.93 +/- 0.75   0.003% *  0.1060% (0.93   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 81.8:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  91.716% * 99.5350% (0.72  10.0   4.21  81.79) =  99.993%  kept
          HA1   GLY   16 - HN    VAL   70   5.51 +/- 1.36   7.804% *  0.0831% (0.60   1.0   0.02   0.02) =   0.007%
          HA    VAL   18 - HN    VAL   70   7.37 +/- 0.73   0.433% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70  11.01 +/- 0.89   0.036% *  0.1265% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.07 +/- 1.40   0.004% *  0.0995% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  15.09 +/- 0.78   0.005% *  0.0564% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.74 +/- 0.69   0.001% *  0.0381% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  24.68 +/- 1.49   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 6.56, residual support = 139.7:
      O   HA    LEU   71 - HN    LEU   71   2.92 +/- 0.03  99.864% * 99.9402% (1.00  10.0   6.56 139.74) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.00 +/- 0.34   0.119% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.54 +/- 0.53   0.016% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.16, residual support = 31.1:
      O   HA    VAL   70 - HN    LEU   71   2.20 +/- 0.02  97.565% * 99.5202% (1.00  10.0   5.16  31.09) =  99.999%  kept
          HA1   GLY   16 - HN    LEU   71   5.30 +/- 1.81   2.151% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   6.41 +/- 0.77   0.205% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   7.56 +/- 0.69   0.070% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.87 +/- 0.77   0.008% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.69 +/- 0.78   0.001% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  19.02 +/- 1.23   0.000% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.36 +/- 1.65   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.24 +/- 0.73   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.969, residual support = 0.969:
          HA    VAL   41 - HN    LEU   71   3.67 +/- 0.39  99.823% * 97.1836% (1.00   0.97   0.97) =  99.997%  kept
          HA    HIS  122 - HN    LEU   71  11.47 +/- 1.31   0.153% *  1.6786% (0.84   0.02   0.02) =   0.003%
          HA    PHE   45 - HN    LEU   71  15.06 +/- 0.31   0.025% *  1.1378% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.27, residual support = 2.18:
          HN    VAL   42 - HN    LEU   71   4.82 +/- 0.28  86.082% * 68.8518% (0.61   2.31   2.24) =  96.653%  kept
          HN    LEU   73 - HN    LEU   71   7.42 +/- 0.13   6.566% * 30.1851% (0.61   1.01   0.36) =   3.232%  kept
          HN    ILE   19 - HN    LEU   71   7.48 +/- 0.56   7.352% *  0.9630% (0.98   0.02   0.02) =   0.115%
    Distance limit 4.45 A violated in 1 structures by 0.32 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.64, residual support = 91.8:
          QD    PHE   72 - HN    PHE   72   2.47 +/- 0.46  99.883% * 98.9254% (0.45   5.64  91.85) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72   9.59 +/- 0.91   0.088% *  0.5683% (0.73   0.02   0.02) =   0.001%
          QE    PHE   45 - HN    PHE   72  10.58 +/- 0.57   0.029% *  0.5063% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.1, residual support = 91.8:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53  10.0   5.10  91.85) = 100.000%  kept
    Distance limit 4.12 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 = 5.45, residual support = 19.4:
      O   HA    LEU   71 - HN    PHE   72   2.25 +/- 0.03  99.824% * 99.9402% (1.00  10.0   5.45  19.45) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   6.76 +/- 0.31   0.143% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.65 +/- 0.54   0.033% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.482, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.17 +/- 0.32  61.080% *  7.2068% (0.18   0.02   0.02) =  34.933%  kept
          HA    THR   23 - HN    PHE   72  15.53 +/- 0.40  14.238% * 29.8815% (0.73   0.02   0.02) =  33.764%  kept
          HA    ASP-  78 - HN    PHE   72  19.20 +/- 0.47   3.988% * 39.7133% (0.97   0.02   0.02) =  12.570%  kept
          HA    LEU   80 - HN    PHE   72  16.77 +/- 1.06   9.534% * 14.0368% (0.34   0.02   0.02) =  10.620%  kept
          HB    THR   23 - HN    PHE   72  16.19 +/- 0.57  11.159% *  9.1616% (0.22   0.02   0.02) =   8.113%  kept
    Distance limit 4.33 A violated in 20 structures by 6.87 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 0.02, residual support = 0.268:
          QE    PHE   60 - HN    LEU   73   8.62 +/- 1.10  50.898% * 15.3170% (0.49   0.02   0.02) =  36.075%  kept
          HZ2   TRP   87 - HN    LEU   73  10.68 +/- 2.77  22.124% * 31.1892% (0.99   0.02   0.02) =  31.930%  kept
          HD21  ASN   28 - HN    LEU   73  10.28 +/- 0.70  19.187% * 30.8446% (0.98   0.02   0.93) =  27.386%  kept
          HN    LEU   63 - HN    LEU   73  11.92 +/- 0.67   7.424% * 12.9368% (0.41   0.02   0.02) =   4.444%  kept
          HN    ILE   56 - HN    LEU   73  19.56 +/- 1.17   0.368% *  9.7124% (0.31   0.02   0.02) =   0.165%
    Distance limit 4.44 A violated in 20 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.31, residual support = 172.9:
      O   HA    LEU   73 - HN    LEU   73   2.89 +/- 0.02 100.000% *100.0000% (0.95  10.0   6.31 172.94) = 100.000%  kept
    Distance limit 3.76 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 = 5.33, residual support = 44.0:
      O   HA    PHE   72 - HN    LEU   73   2.53 +/- 0.08 100.000% *100.0000% (0.53  10.0   5.33  43.99) = 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 = 0.609, support = 0.898, residual support = 0.987:
          HA    VAL   43 - HN    LEU   73   4.81 +/- 0.83  72.303% * 30.4906% (0.53   0.83   1.30) =  67.683%  kept
          HA    LEU   71 - HN    LEU   73   6.37 +/- 0.04  15.870% * 61.3397% (0.84   1.06   0.36) =  29.886%  kept
          HA    ALA   20 - HN    LEU   73   6.93 +/- 0.35  10.495% *  7.5071% (0.14   0.80   0.02) =   2.419%  kept
          HA    HIS   22 - HN    LEU   73  10.27 +/- 0.66   1.043% *  0.2755% (0.20   0.02   0.02) =   0.009%
          HA    ASN   69 - HN    LEU   73  12.25 +/- 0.52   0.289% *  0.3871% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.22 A violated in 1 structures by 0.51 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.75, residual support = 8.77:
        T HN    CYS   21 - HN    LYS+  74   2.56 +/- 0.51  99.990% * 95.8247% (0.12 10.00   3.75   8.77) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.72 +/- 0.82   0.001% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  15.68 +/- 0.61   0.003% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  16.25 +/- 0.67   0.003% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.36 +/- 0.51   0.002% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.559, support = 3.84, residual support = 14.5:
        T HN    ILE   19 - HN    LYS+  74   4.23 +/- 0.55  60.859% * 72.8037% (0.54 10.00   3.25   8.51) =  80.971%  kept
          HN    LEU   73 - HN    LYS+  74   4.55 +/- 0.07  38.432% * 27.0920% (0.64  1.00   6.34  40.10) =  19.028%  kept
          HN    VAL   42 - HN    LYS+  74   8.95 +/- 0.44   0.701% *  0.0854% (0.64  1.00   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HN    LYS+  74  18.91 +/- 0.41   0.007% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 5.52, residual support = 40.1:
      O   HA    LEU   73 - HN    LYS+  74   2.57 +/- 0.10 100.000% *100.0000% (0.68  10.0   5.52  40.10) = 100.000%  kept
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.08, residual support = 187.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.89 +/- 0.01  99.932% * 99.4309% (0.20  10.0   6.08 187.65) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.90 +/- 0.42   0.065% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  18.38 +/- 1.24   0.002% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.19 +/- 1.09   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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   2.99 +/- 0.27  99.827% * 99.7093% (0.68   3.74   8.19) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.83 +/- 0.25   0.173% *  0.2907% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.29, residual support = 32.6:
      O   HA    LYS+  74 - HN    VAL   75   2.20 +/- 0.05  99.998% * 99.7992% (0.61  10.0   6.29  32.58) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  14.26 +/- 1.21   0.002% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  16.54 +/- 0.97   0.001% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 36.3:
      O   HA    ASP-  76 - HN    ASP-  76   2.92 +/- 0.00  99.996% * 99.5538% (0.22  10.0   3.75  36.30) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  16.33 +/- 1.41   0.004% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 19.8:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.915% * 99.5919% (0.65  10.0   3.97  19.82) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.71 +/- 0.94   0.072% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  11.04 +/- 1.49   0.010% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.68 +/- 1.63   0.002% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.99 +/- 1.04   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 5.25, residual support = 28.2:
        T HN    ASP-  78 - HN    THR   77   2.75 +/- 0.11  99.398% * 99.9203% (0.98 10.00   5.25  28.16) = 100.000%  kept
          HN    VAL   75 - HN    THR   77   6.51 +/- 0.20   0.601% *  0.0618% (0.61  1.00   0.02   0.34) =   0.000%
          HN    LYS+ 112 - HN    THR   77  18.71 +/- 1.50   0.001% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.25, residual support = 28.2:
        T HN    THR   77 - HN    ASP-  78   2.75 +/- 0.11 100.000% *100.0000% (1.00 10.00   5.25  28.16) = 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 = 3.72, residual support = 16.0:
        T HN    GLU-  79 - HN    ASP-  78   2.48 +/- 0.14  99.968% * 99.9158% (0.99 10.00   3.72  16.00) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78   9.96 +/- 1.21   0.032% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 3.72, residual support = 16.0:
        T HN    ASP-  78 - HN    GLU-  79   2.48 +/- 0.14  99.928% * 99.9001% (0.56 10.00   3.72  16.00) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.37 +/- 0.25   0.072% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 4.19, residual support = 54.7:
      O   HA    GLU-  79 - HN    GLU-  79   2.83 +/- 0.05  98.273% * 99.4285% (0.60  10.0   4.19  54.70) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.66 +/- 0.30   1.667% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    GLU-  79  11.48 +/- 0.34   0.023% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLU-  79  12.10 +/- 0.54   0.017% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  13.16 +/- 1.42   0.012% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.70 +/- 1.71   0.007% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  20.71 +/- 0.82   0.001% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  24.15 +/- 0.46   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  30.69 +/- 2.57   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 16.0:
      O   HA    ASP-  78 - HN    GLU-  79   3.58 +/- 0.05  98.527% * 98.7485% (0.08  10.0   3.82  16.00) =  99.989%  kept
          HA    PHE   45 - HN    GLU-  79   7.30 +/- 0.39   1.465% *  0.7232% (0.60   1.0   0.02   0.02) =   0.011%
          HA    VAL   41 - HN    GLU-  79  17.62 +/- 0.43   0.007% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  24.16 +/- 0.92   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.1:
      O   HA    ASP-  76 - HN    THR   77   2.29 +/- 0.04  99.999% * 99.8354% (0.53  10.0   4.53  11.14) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  17.51 +/- 1.24   0.001% *  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 = 0.562, support = 0.47, residual support = 0.466:
          HA    ALA   47 - HN    THR   77   5.36 +/- 1.10  90.833% * 75.7325% (0.57   0.47   0.47) =  99.343%  kept
          HA    CYS   50 - HN    THR   77   9.03 +/- 0.72   5.080% *  5.5460% (0.98   0.02   0.02) =   0.407%
          HA    TRP   49 - HN    THR   77  10.81 +/- 0.60   1.940% *  4.9079% (0.87   0.02   0.02) =   0.138%
          HA    CYS   21 - HN    THR   77  12.15 +/- 0.54   1.186% *  3.8865% (0.69   0.02   0.02) =   0.067%
          HA    VAL  108 - HN    THR   77  12.46 +/- 1.60   0.651% *  2.5367% (0.45   0.02   0.02) =   0.024%
          HA1   GLY  109 - HN    THR   77  14.85 +/- 2.42   0.273% *  5.4604% (0.97   0.02   0.02) =   0.022%
          HA    LYS+ 102 - HN    THR   77  20.90 +/- 1.35   0.035% *  1.9300% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 10 structures by 1.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.254, support = 0.974, residual support = 11.3:
          HA    THR   46 - HN    THR   77   5.21 +/- 0.96  81.611% * 77.3286% (0.25   0.99  11.45) =  98.756%  kept
          HA    GLN   90 - HN    THR   77   7.96 +/- 2.37  17.410% *  4.3196% (0.69   0.02   0.02) =   1.177%  kept
          HA    VAL   42 - HN    THR   77  13.37 +/- 0.65   0.372% *  5.4548% (0.87   0.02   0.02) =   0.032%
          HA    PHE   55 - HN    THR   77  15.76 +/- 0.86   0.181% *  5.4548% (0.87   0.02   0.02) =   0.015%
          HA    ALA  110 - HN    THR   77  14.71 +/- 2.27   0.272% *  3.5603% (0.57   0.02   0.02) =   0.015%
          HA    GLN   17 - HN    THR   77  17.53 +/- 0.83   0.143% *  1.9409% (0.31   0.02   0.02) =   0.004%
          HA    SER   37 - HN    THR   77  25.43 +/- 0.77   0.011% *  1.9409% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 4 structures by 0.81 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.37 +/- 0.25  97.926% * 99.1602% (0.76  10.0   4.01  37.75) =  99.999%  kept
          HA    ASP-  44 - HN    THR   77   8.07 +/- 0.61   0.590% *  0.1084% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    THR   77   6.98 +/- 0.16   1.329% *  0.0361% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.42 +/- 1.20   0.080% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.61 +/- 1.21   0.027% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.81 +/- 1.16   0.038% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.03 +/- 1.25   0.005% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.11 +/- 1.29   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  21.02 +/- 1.19   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.20 +/- 1.93   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  22.51 +/- 0.50   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.18 +/- 2.18   0.000% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 5.04, residual support = 32.5:
        T HN    LEU   80 - HN    LYS+  81   3.49 +/- 0.37  96.979% * 98.5772% (0.65 10.00   5.04  32.47) =  99.998%  kept
          HN    SER   85 - HN    LYS+  81   6.49 +/- 0.27   3.000% *  0.0683% (0.45  1.00   0.02   0.02) =   0.002%
        T HN    ALA   34 - HN    LYS+  81  19.82 +/- 0.78   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.06 +/- 0.90   0.006% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  16.19 +/- 1.52   0.012% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.17, residual support = 12.9:
        T HN    SER   82 - HN    LYS+  81   2.63 +/- 0.13  99.963% * 99.8569% (1.00 10.00   4.17  12.86) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.76 +/- 1.60   0.036% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  23.96 +/- 0.97   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.63 +/- 1.24   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  26.14 +/- 0.79   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.57, residual support = 32.5:
      O   HA    LEU   80 - HN    LYS+  81   2.59 +/- 0.21  97.626% * 99.6041% (0.69  10.0   5.57  32.47) =  99.997%  kept
          HA    ASP-  78 - HN    LYS+  81   5.26 +/- 0.78   2.041% *  0.1372% (0.95   1.0   0.02   0.94) =   0.003%
          HA    THR   23 - HN    LYS+  81   7.67 +/- 0.93   0.278% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   9.81 +/- 1.04   0.055% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.02 +/- 1.07   0.000% *  0.0403% (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 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.32, residual support = 101.3:
      O   HA    LYS+  81 - HN    LYS+  81   2.79 +/- 0.05  99.989% * 99.7055% (0.99  10.0   5.32 101.34) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.47 +/- 0.93   0.009% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  19.53 +/- 1.58   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  26.28 +/- 0.90   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  21.80 +/- 0.88   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  32.49 +/- 0.88   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.91, residual support = 33.4:
      O   HA    SER   82 - HN    SER   82   2.77 +/- 0.04  99.956% * 98.7108% (0.25  10.0   3.91  33.37) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.78 +/- 0.92   0.034% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.65 +/- 0.79   0.007% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.25 +/- 0.87   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  18.47 +/- 1.16   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  25.48 +/- 1.09   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.202, support = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   9.81 +/- 1.26  99.147% * 32.4951% (0.20   0.02   0.02) =  98.245%  kept
          HA    ASP- 105 - HN    SER   82  22.77 +/- 1.32   0.853% * 67.5049% (0.41   0.02   0.02) =   1.755%  kept
    Distance limit 4.21 A violated in 20 structures by 5.58 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 = 19.8:
        T HN    VAL   83 - HN    SER   82   2.72 +/- 0.11  99.996% * 99.9274% (1.00 10.00   5.62  19.84) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  15.15 +/- 0.99   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.17, residual support = 12.9:
          HN    LYS+  81 - HN    SER   82   2.63 +/- 0.13  99.982% * 99.2815% (1.00   4.17  12.86) = 100.000%  kept
          QD    PHE   60 - HN    SER   82  14.50 +/- 0.93   0.004% *  0.3817% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    SER   82  12.02 +/- 0.99   0.013% *  0.1061% (0.22   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  21.44 +/- 1.53   0.000% *  0.0835% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  23.21 +/- 0.65   0.000% *  0.1471% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 7.57, residual support = 42.6:
        T HN    ALA   84 - HN    VAL   83   2.62 +/- 0.06  99.998% * 99.6823% (0.75 10.00   7.57  42.61) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  19.77 +/- 1.21   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  19.46 +/- 1.09   0.001% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.47 +/- 1.50   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.35 +/- 1.02   0.000% *  0.0730% (0.55  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 = 19.8:
        T HN    SER   82 - HN    VAL   83   2.72 +/- 0.11  99.956% * 99.8569% (0.75 10.00   5.62  19.84) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.30 +/- 1.06   0.042% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.09 +/- 1.54   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  22.69 +/- 1.26   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  25.38 +/- 1.18   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 20.7:
        T HN    SER   85 - HN    ALA   84   2.76 +/- 0.09  99.970% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.03 +/- 0.63   0.027% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.53 +/- 0.80   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  18.15 +/- 0.73   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 7.57, residual support = 42.6:
        T HN    VAL   83 - HN    ALA   84   2.62 +/- 0.06  99.995% * 99.9274% (1.00 10.00   7.57  42.61) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.02 +/- 0.92   0.005% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 2.25, residual support = 5.55:
          HA    LYS+  81 - HN    ALA   84   3.20 +/- 0.23  99.943% * 95.6878% (0.80   2.25   5.55) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  11.92 +/- 0.65   0.046% *  0.5159% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.63 +/- 1.45   0.002% *  1.0228% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  19.30 +/- 1.04   0.002% *  0.4752% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  19.78 +/- 0.76   0.002% *  0.3271% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  19.51 +/- 3.02   0.003% *  0.1856% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  24.49 +/- 0.93   0.001% *  0.7280% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  30.28 +/- 1.14   0.000% *  1.0575% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.408, support = 0.0199, residual support = 0.0199:
          HA    GLU-  25 - HN    VAL   83   9.75 +/- 0.72  75.558% * 13.1508% (0.34   0.02   0.02) =  66.671%  kept
          HA    THR   26 - HN    VAL   83  12.49 +/- 0.57  17.074% * 21.2999% (0.55   0.02   0.02) =  24.401%  kept
          HA    CYS   53 - HN    VAL   83  18.17 +/- 1.21   2.124% * 27.0775% (0.70   0.02   0.02) =   3.860%  kept
          HA    ILE   19 - HN    VAL   83  17.03 +/- 0.83   2.789% * 20.1488% (0.52   0.02   0.02) =   3.770%  kept
          HA1   GLY  101 - HN    VAL   83  19.33 +/- 3.22   2.081% *  7.3142% (0.19   0.02   0.02) =   1.021%  kept
          HA    GLU- 114 - HN    VAL   83  23.92 +/- 1.23   0.374% * 11.0089% (0.28   0.02   0.02) =   0.276%
    Distance limit 4.21 A violated in 20 structures by 5.09 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.2:
        T HN    SER   85 - HN    VAL   83   4.29 +/- 0.10  80.248% * 99.5391% (0.58 10.00   2.60   5.20) =  99.989%  kept
          HN    LEU   80 - HN    VAL   83   5.45 +/- 0.25  19.666% *  0.0444% (0.26  1.00   0.02   0.02) =   0.011%
          HN    GLN   32 - HN    VAL   83  15.02 +/- 0.90   0.047% *  0.1300% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  17.95 +/- 1.33   0.017% *  0.2281% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.06 +/- 0.89   0.022% *  0.0584% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.29, residual support = 10.7:
          HN    SER   82 - HN    ALA   84   3.87 +/- 0.08  97.700% * 99.2409% (0.87   4.29  10.69) =  99.991%  kept
          HN    GLN   90 - HN    ALA   84   7.75 +/- 1.08   2.285% *  0.3664% (0.69   0.02   0.02) =   0.009%
          HN    ILE  103 - HN    ALA   84  17.55 +/- 1.44   0.013% *  0.2597% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  23.21 +/- 1.18   0.002% *  0.1330% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.42 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 +/- 0.10  99.996% * 97.4562% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  16.09 +/- 0.59   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.58 +/- 0.74   0.002% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  20.23 +/- 1.65   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  22.43 +/- 1.85   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.41 +/- 0.99   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.76 +/- 0.09  99.821% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.55 +/- 0.91   0.137% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  10.49 +/- 0.83   0.039% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  19.59 +/- 0.64   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  19.67 +/- 1.28   0.001% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  20.45 +/- 0.74   0.001% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  22.78 +/- 1.19   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.2:
        T HN    VAL   83 - HN    SER   85   4.29 +/- 0.10  99.945% * 99.9526% (0.87 10.00   2.60   5.20) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.28 +/- 1.17   0.055% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.22 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   2.81 +/- 0.03  96.475% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.96 +/- 0.09   3.214% *  0.0449% (0.45   1.0   0.02  13.43) =   0.002%
          HB    THR   77 - HN    SER   85   8.09 +/- 1.57   0.255% *  0.0993% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    SER   85  10.30 +/- 0.56   0.042% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.58 +/- 0.68   0.008% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.62 +/- 1.63   0.002% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  18.32 +/- 1.54   0.002% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  18.02 +/- 1.60   0.002% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.84 +/- 1.14   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.67 +/- 1.20   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  36.23 +/- 2.43   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  33.47 +/- 2.00   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.532, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.43 +/- 0.61   9.974% * 23.1039% (0.98   0.02   0.02) =  28.647%  kept
          HA    ASN   28 - HN    SER   85  13.37 +/- 0.75  34.970% *  5.2476% (0.22   0.02   0.02) =  22.814%  kept
          HA    GLU-  25 - HN    SER   85  13.48 +/- 0.94  33.850% *  4.1279% (0.18   0.02   0.02) =  17.372%  kept
          HA    CYS   53 - HN    SER   85  17.38 +/- 1.00   7.883% * 14.2963% (0.61   0.02   0.02) =  14.010%  kept
          HA1   GLY  101 - HN    SER   85  20.29 +/- 3.13   4.055% * 13.3446% (0.57   0.02   0.02) =   6.728%  kept
          HA    GLU- 114 - HN    SER   85  22.59 +/- 1.01   1.535% * 17.1158% (0.73   0.02   0.02) =   3.267%  kept
          HA    ILE   19 - HN    SER   85  20.39 +/- 0.72   2.813% *  8.0401% (0.34   0.02   0.02) =   2.812%  kept
          HA    ALA   34 - HN    SER   85  21.51 +/- 0.91   2.046% *  8.8463% (0.38   0.02   0.02) =   2.250%  kept
          HA    LEU  115 - HN    SER   85  20.40 +/- 0.89   2.874% *  5.8774% (0.25   0.02   0.02) =   2.100%  kept
    Distance limit 3.77 A violated in 20 structures by 7.40 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 +/- 0.10  99.991% * 99.7141% (0.99 10.00   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.56 +/- 0.42   0.007% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.30 +/- 0.94   0.001% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  16.37 +/- 0.90   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.74 +/- 0.07  99.575% * 98.7385% (0.95   3.69  22.51) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   6.90 +/- 0.60   0.425% *  0.1746% (0.31   0.02  22.51) =   0.001%
          HN    GLN   17 - HN    ASP-  86  23.85 +/- 1.14   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  25.07 +/- 1.70   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 4.02, residual support = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.01  81.202% * 84.6024% (0.87  10.0   4.05  41.90) =  96.367%  kept
      O   HA    SER   85 - HN    ASP-  86   3.52 +/- 0.02  17.209% * 15.0488% (0.15  10.0   3.27  13.43) =   3.633%  kept
          HA    TRP   87 - HN    ASP-  86   5.28 +/- 0.02   1.526% *  0.0271% (0.28   1.0   0.02  22.51) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.69 +/- 1.67   0.056% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.38 +/- 0.76   0.006% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.46 +/- 1.65   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.10 +/- 1.15   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.90 +/- 1.96   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  35.63 +/- 2.37   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 = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.74 +/- 0.07  99.990% * 98.4310% (1.00   3.69  22.51) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.50 +/- 0.76   0.003% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.45 +/- 0.94   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  16.62 +/- 1.78   0.003% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  19.87 +/- 2.29   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.61 +/- 1.06   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 3.98, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.00  77.421% * 78.1363% (0.90  10.0   4.03  70.42) =  92.501%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.61 +/- 0.02  22.576% * 21.7248% (0.25  10.0   3.39  22.51) =   7.499%  kept
          HA    LEU  104 - HN    TRP   87  17.14 +/- 1.66   0.002% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  20.33 +/- 0.75   0.001% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.90 +/- 1.13   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.93 +/- 1.93   0.000% *  0.0194% (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 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.86, residual support = 70.4:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.047% * 98.5173% (0.28  10.0   1.86  70.42) =  99.994%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.219% *  0.2769% (0.73   1.0   0.02  70.42) =   0.003%
          HN    ALA   91 - HE1   TRP   87  10.00 +/- 2.07   0.692% *  0.3780% (0.99   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HE1   TRP   87  10.57 +/- 2.42   0.038% *  0.3420% (0.90   1.0   0.02   5.97) =   0.000%
          HN    ALA   61 - HE1   TRP   87  15.63 +/- 0.77   0.002% *  0.3680% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.46 +/- 1.96   0.001% *  0.1177% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 5.97:
          HZ2   TRP   27 - HE1   TRP   87   5.80 +/- 2.39  96.961% * 99.7535% (0.80   2.00   5.97) =  99.992%  kept
          HZ    PHE   72 - HE1   TRP   87  12.73 +/- 1.41   3.039% *  0.2465% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.14 A violated in 8 structures by 1.68 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 2.95, residual support = 5.1:
      O   HA    TRP   87 - HN    ALA   88   3.28 +/- 0.09  24.896% * 95.2913% (0.28  10.0   2.98   5.16) =  98.794%  kept
          HA    ASP-  86 - HN    ALA   88   4.04 +/- 0.17   7.198% *  3.5255% (0.87   1.0   0.24   0.02) =   1.057%  kept
          HA    SER   85 - HN    ALA   88   2.76 +/- 0.12  67.853% *  0.0529% (0.15   1.0   0.02   0.02) =   0.149%
          HB    THR   77 - HN    ALA   88   9.93 +/- 1.76   0.046% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  13.20 +/- 0.79   0.006% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  18.18 +/- 1.79   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.86 +/- 1.13   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.92 +/- 1.92   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  37.74 +/- 2.23   0.000% *  0.0763% (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 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.861, residual support = 19.8:
          HA    TRP   87 - HN    ILE   89   4.51 +/- 0.29  87.097% * 76.2566% (0.61   0.88  20.47) =  96.724%  kept
          HA    ASP-  86 - HN    ILE   89   6.32 +/- 0.31  12.854% * 17.4911% (0.53   0.23   0.02) =   3.274%  kept
          HA    LEU  104 - HN    ILE   89  17.55 +/- 1.77   0.030% *  2.6963% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  18.88 +/- 0.85   0.017% *  0.4398% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.89 +/- 1.14   0.001% *  1.7288% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  34.11 +/- 1.91   0.001% *  1.3874% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.22 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.3:
          HN    ALA   91 - HN    GLN   90   2.30 +/- 0.53  99.914% * 99.1370% (0.92   6.75  32.35) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   9.93 +/- 1.09   0.079% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  15.21 +/- 1.84   0.005% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  17.51 +/- 1.55   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  24.58 +/- 1.71   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.351, support = 5.44, residual support = 88.8:
      O   HA    GLN   90 - HN    GLN   90   2.59 +/- 0.31  95.700% * 68.5367% (0.34  10.0   5.48  89.96) =  98.028%  kept
          HA    ALA   91 - HN    GLN   90   4.71 +/- 0.41   4.255% * 31.0096% (0.87   1.0   3.56  32.35) =   1.972%  kept
          HA    VAL  107 - HN    GLN   90  11.89 +/- 1.38   0.022% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  11.88 +/- 1.50   0.021% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  17.10 +/- 1.65   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  16.56 +/- 1.25   0.002% *  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 = 90.0:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  89.96) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  28.53 +/- 2.04   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.22 +/- 2.80   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 90.0:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.971% * 99.4024% (0.76  10.0   1.00  89.96) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.12 +/- 0.77   0.012% *  0.0646% (0.25   1.0   0.02   6.30) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  12.30 +/- 4.81   0.016% *  0.0401% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  18.82 +/- 2.25   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  21.08 +/- 4.06   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  26.20 +/- 1.86   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.28 +/- 1.10   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  25.88 +/- 2.33   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  28.53 +/- 2.04   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  33.09 +/- 1.15   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.82 +/- 1.72   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  36.55 +/- 1.26   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 = 32.3:
        T HN    GLN   90 - HN    ALA   91   2.30 +/- 0.53  99.374% * 99.6698% (0.95 10.00   6.75  32.35) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91   7.10 +/- 1.90   0.592% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.49 +/- 1.06   0.014% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.51 +/- 1.55   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.54 +/- 1.64   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.51 +/- 0.72   0.016% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.49 +/- 1.44   0.001% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  22.38 +/- 1.00   0.000% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.111, support = 0.02, residual support = 27.2:
          HA    LEU   73 - HN    TRP   27   8.45 +/- 0.40  99.299% * 10.9973% (0.08   0.02  28.73) =  94.597%  kept
          HA    LEU   73 - HN    ALA   91  19.54 +/- 0.94   0.701% * 89.0027% (0.65   0.02   0.02) =   5.403%  kept
    Distance limit 4.32 A violated in 20 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.875, support = 2.8, residual support = 25.1:
      O   HA    ALA   91 - HN    ALA   91   2.91 +/- 0.03  41.845% * 89.2967% (1.00  10.0   2.46  12.89) =  86.014%  kept
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.080% * 10.4606% (0.12  10.0   4.88 100.04) =  13.985%  kept
          HA    VAL  107 - HN    ALA   91  11.50 +/- 1.62   0.017% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  11.72 +/- 1.97   0.028% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.67 +/- 1.48   0.029% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.89 +/- 0.96   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  21.11 +/- 0.98   0.000% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.34 +/- 0.80   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  25.63 +/- 1.35   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  25.15 +/- 1.75   0.000% *  0.0019% (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 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 62.2:
      O   HA    MET   92 - HN    MET   92   2.35 +/- 0.23  99.982% * 99.1845% (0.25  10.0   4.21  62.18) = 100.000%  kept
          HA    PHE   45 - HN    MET   92  10.45 +/- 0.76   0.018% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  22.76 +/- 1.03   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  21.58 +/- 0.55   0.000% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.97:
      O   HA    ALA   91 - HN    MET   92   2.26 +/- 0.07  99.450% * 99.6892% (0.80  10.0   2.89   8.97) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   7.70 +/- 1.88   0.530% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  11.63 +/- 0.99   0.007% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.15 +/- 1.56   0.013% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  21.07 +/- 0.96   0.000% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.87 +/- 0.27  96.900% * 99.8946% (0.95 10.00   3.30  27.13) =  99.997%  kept
          HN    ALA  110 - HN    THR   94   7.32 +/- 0.91   3.100% *  0.1054% (1.00  1.00   0.02   0.02) =   0.003%
    Distance limit 4.14 A violated in 0 structures by 0.03 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   8.38 +/- 0.41 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.25 A violated in 20 structures by 4.14 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.16 +/- 0.03  99.972% * 99.9112% (0.22  10.0   4.09  15.61) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.85 +/- 1.20   0.028% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.992, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.98 +/- 0.18  97.682% * 54.6147% (1.00   0.02   0.02) =  98.662%  kept
          HA    LYS+  74 - HN    THR   94  11.41 +/- 0.49   2.100% * 33.1992% (0.61   0.02   0.02) =   1.289%  kept
          HA    HIS  122 - HN    THR   94  16.70 +/- 0.80   0.218% * 12.1862% (0.22   0.02   0.02) =   0.049%
    Distance limit 3.68 A violated in 20 structures by 2.28 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 = 46.2:
          HN    VAL  107 - HN    PHE   95   2.89 +/- 0.95  99.969% * 99.0525% (0.97   2.00  46.21) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  15.36 +/- 1.00   0.031% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 1 structures by 0.13 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   3.50 +/- 0.60  99.438% * 99.3373% (0.87   3.86  73.49) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.03 +/- 0.63   0.137% *  0.5147% (0.87   0.02   0.02) =   0.001%
          QE    PHE   72 - HN    PHE   95   9.39 +/- 0.59   0.425% *  0.1480% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.49) = 100.000%  kept
    Distance limit 4.19 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 = 13.7:
      O   HA    THR   94 - HN    PHE   95   2.17 +/- 0.04  99.979% * 99.8515% (0.65  10.0   3.16  13.71) = 100.000%  kept
          HA    MET   92 - HN    PHE   95   9.20 +/- 0.22   0.018% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  74 - HN    PHE   95  12.29 +/- 0.43   0.003% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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   2.22 +/- 0.03 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.05 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  99.928% * 99.9800% (0.94  10.0   4.09 115.56) = 100.000%  kept
          HA    PHE   72 - HN    MET   96  10.18 +/- 0.99   0.072% *  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 = 4.49, residual support = 56.9:
        T HN    ASP- 105 - HN    PHE   97   3.62 +/- 0.76  99.689% * 99.9802% (1.00 10.00   4.49  56.87) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  13.61 +/- 1.49   0.311% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 2 structures by 0.16 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   3.13 +/- 0.82  99.324% * 98.9946% (0.80   4.10  62.68) =  99.996%  kept
          HZ3   TRP   87 - HN    PHE   97   9.80 +/- 1.69   0.675% *  0.5228% (0.87   0.02   0.02) =   0.004%
          HE3   TRP   49 - HN    PHE   97  23.20 +/- 1.20   0.001% *  0.4826% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.20 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.49, residual support = 8.68:
          HA    LYS+ 106 - HN    PHE   97   3.77 +/- 0.88 100.000% *100.0000% (0.98   2.49   8.68) = 100.000%  kept
    Distance limit 4.22 A violated in 1 structures by 0.16 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   2.21 +/- 0.01  99.995% * 99.9800% (0.99  10.0   6.07  46.26) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97  11.61 +/- 0.88   0.005% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 5.24, residual support = 24.3:
        T HN    VAL   41 - HN    LEU   98   3.61 +/- 0.38 100.000% *100.0000% (0.69 10.00   5.24  24.34) = 100.000%  kept
    Distance limit 3.87 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 = 83.4:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80  10.0   5.21  83.36) = 100.000%  kept
    Distance limit 4.08 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 = 3.49, residual support = 11.1:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.49  11.09) = 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 = 0.458, support = 1.04, residual support = 1.77:
          HA    VAL   42 - HN    LEU   98   3.02 +/- 0.42  94.986% * 25.2409% (0.45   0.89   0.76) =  87.583%  kept
          HA    LEU   40 - HN    LEU   98   5.36 +/- 0.36   4.971% * 68.3600% (0.53   2.06   8.87) =  12.415%  kept
          HA    GLN   17 - HN    LEU   98  13.48 +/- 1.33   0.015% *  1.2203% (0.97   0.02   0.02) =   0.001%
          HA    SER   37 - HN    LEU   98  14.31 +/- 0.46   0.011% *  1.2203% (0.97   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU   98  15.29 +/- 0.87   0.008% *  0.9182% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  15.70 +/- 0.40   0.006% *  1.2533% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.84 +/- 0.89   0.003% *  0.8686% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.92 +/- 0.88   0.001% *  0.9182% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.938, support = 0.869, residual support = 1.67:
          HN    LYS+ 102 - HN    LYS+  99   2.81 +/- 0.76  98.118% * 57.6722% (0.95   0.85   1.68) =  98.980%  kept
          HN    ASP- 105 - HN    LYS+  99   6.58 +/- 0.44   1.462% * 39.7837% (0.18   3.15   0.02) =   1.018%  kept
          HN    THR   39 - HN    LYS+  99   9.55 +/- 0.52   0.148% *  0.5410% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.68 +/- 0.84   0.028% *  1.1541% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.35 +/- 0.27   0.172% *  0.0758% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  15.48 +/- 1.54   0.007% *  0.5926% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.88 +/- 0.36   0.043% *  0.0355% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  14.43 +/- 1.30   0.014% *  0.0389% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.89 +/- 1.77   0.005% *  0.0896% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.89 +/- 1.13   0.003% *  0.0166% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.12 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.18, residual support = 17.2:
      O   HA    LEU   98 - HN    LYS+  99   2.28 +/- 0.05  99.999% * 99.9934% (0.99  10.0   4.18  17.15) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.94 +/- 1.09   0.001% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 5.18, residual support = 172.0:
      O   HA    LYS+  99 - HN    LYS+  99   2.93 +/- 0.01  99.844% * 99.5300% (0.80  10.0   5.18 172.02) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.66 +/- 0.78   0.091% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  16.96 +/- 2.19   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.78 +/- 0.26   0.040% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  15.44 +/- 2.12   0.007% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.90 +/- 1.09   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.56 +/- 1.10   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.74 +/- 1.00   0.007% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  22.27 +/- 1.35   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  16.72 +/- 1.06   0.003% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.53 +/- 0.82   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  25.47 +/- 0.88   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.59 +/- 1.69   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.50 +/- 0.90   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   2.96 +/- 0.35  94.237% * 99.9864% (1.00 10.00   3.61  14.94) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   4.92 +/- 0.47   5.763% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.83, residual support = 39.8:
      O   HA    LYS+  99 - HN    GLU- 100   2.19 +/- 0.04  85.117% * 99.5956% (0.99  10.0   6.83  39.76) =  99.996%  kept
          HA    LEU   40 - HN    GLU- 100   3.10 +/- 0.46  14.707% *  0.0199% (0.20   1.0   0.02   0.02) =   0.003%
          HA    ASN   35 - HN    GLU- 100   6.65 +/- 0.93   0.175% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  17.40 +/- 2.24   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.22 +/- 1.05   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.29 +/- 1.28   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  24.40 +/- 1.08   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.12, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.63 +/- 0.80  99.450% * 98.8214% (0.95   3.12  12.50) =  99.998%  kept
          HN    THR   39 - HN    GLY  101   7.83 +/- 0.79   0.343% *  0.2510% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLY  101  10.13 +/- 1.15   0.097% *  0.5355% (0.80   0.02   0.02) =   0.001%
          HN    ASP- 105 - HN    GLY  101   9.63 +/- 0.42   0.107% *  0.1171% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  16.42 +/- 1.88   0.004% *  0.2749% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.846, residual support = 1.68:
          HN    LYS+  99 - HN    LYS+ 102   2.81 +/- 0.76  99.913% * 94.5653% (0.98   0.85   1.68) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  14.17 +/- 3.42   0.026% *  2.1576% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  10.96 +/- 1.69   0.052% *  0.3519% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.89 +/- 1.77   0.006% *  0.5687% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  22.97 +/- 1.92   0.001% *  1.9051% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  18.73 +/- 2.20   0.002% *  0.4514% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.63 +/- 0.80  99.938% * 99.9864% (1.00 10.00   3.12  12.50) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.54 +/- 1.23   0.062% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.06 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   2.96 +/- 0.35 100.000% *100.0000% (0.80 10.00   3.61  14.94) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.983, support = 1.42, residual support = 1.4:
          HA    LYS+  99 - HN    GLY  101   3.75 +/- 0.46  85.476% * 88.5610% (0.99   1.43   1.41) =  99.029%  kept
          HA    LEU   40 - HN    GLY  101   5.40 +/- 0.73  10.440% *  6.6559% (0.20   0.54   0.02) =   0.909%  kept
          HA    ASN   35 - HN    GLY  101   6.92 +/- 1.02   4.070% *  1.1540% (0.92   0.02   0.02) =   0.061%
          HA    LEU  123 - HN    GLY  101  19.23 +/- 2.07   0.007% *  1.0010% (0.80   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  24.56 +/- 1.01   0.001% *  1.1211% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  24.70 +/- 1.19   0.001% *  1.1211% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.19 +/- 1.11   0.003% *  0.3858% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.55 +/- 0.20  99.873% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.47 +/- 1.29   0.118% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  13.23 +/- 1.61   0.007% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.98 +/- 1.43   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.62 +/- 0.86   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  20.40 +/- 1.08   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  19.39 +/- 2.21   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.93 +/- 1.14   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 6.5, residual support = 36.8:
          HN    LEU  104 - HN    ILE  103   4.63 +/- 0.07  99.925% * 99.3841% (0.49   6.50  36.79) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  15.47 +/- 0.66   0.075% *  0.6159% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.27 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.96, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.31 +/- 0.13  99.999% * 99.7796% (0.97  10.0   5.96  22.41) = 100.000%  kept
          HA    CYS   21 - HN    ILE  103  20.99 +/- 1.34   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.84 +/- 0.55   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.22 +/- 0.79   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  25.26 +/- 1.01   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.77 +/- 1.02   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 6.98, residual support = 138.1:
      O   HA    ILE  103 - HN    ILE  103   2.77 +/- 0.07  99.975% * 99.2916% (0.98  10.0   6.98 138.11) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.31 +/- 0.42   0.008% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  13.84 +/- 0.77   0.007% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  17.72 +/- 1.96   0.002% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  15.08 +/- 2.01   0.006% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.09 +/- 1.92   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.60 +/- 1.12   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.97 +/- 1.46   0.000% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.12 +/- 1.08   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.60 +/- 2.13   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  24.98 +/- 1.07   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  29.90 +/- 1.86   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 6.4, residual support = 38.1:
        T HN    ASP- 105 - HN    LEU  104   2.28 +/- 0.42  99.998% * 99.9802% (1.00 10.00   6.40  38.06) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  16.03 +/- 1.78   0.002% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 3.89, residual support = 9.31:
          HA    LEU   98 - HN    LEU  104   3.30 +/- 0.53 100.000% *100.0000% (0.80   3.89   9.31) = 100.000%  kept
    Distance limit 3.80 A violated in 1 structures by 0.07 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.96, residual support = 36.8:
      O   HA    ILE  103 - HN    LEU  104   2.33 +/- 0.09  99.985% * 99.2645% (0.95  10.0   5.96  36.79) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.31 +/- 0.62   0.008% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.77 +/- 0.42   0.004% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.50 +/- 1.77   0.001% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.88 +/- 1.83   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.01 +/- 1.77   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.75 +/- 1.24   0.000% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.21 +/- 0.78   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.71 +/- 0.92   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.69 +/- 0.92   0.000% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  31.86 +/- 1.77   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  29.00 +/- 1.78   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 4.49, residual support = 56.9:
        T HN    PHE   97 - HN    ASP- 105   3.62 +/- 0.76  99.842% * 99.7623% (0.73 10.00   4.49  56.87) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.58 +/- 0.76   0.137% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.63 +/- 1.01   0.020% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  30.25 +/- 1.85   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 2 structures by 0.20 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.4, residual support = 38.1:
        T HN    LEU  104 - HN    ASP- 105   2.28 +/- 0.42  99.997% * 99.9822% (0.87 10.00   6.40  38.06) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.95 +/- 0.50   0.003% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 136.2:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 136.21) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 21.5:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.07  99.999% * 99.6913% (0.92  10.0   3.49  21.49) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.31 +/- 1.15   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  25.59 +/- 0.92   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  21.49 +/- 1.34   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  24.11 +/- 0.91   0.000% *  0.0655% (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 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.36, residual support = 42.3:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.998% * 99.6913% (0.92  10.0   4.36  42.34) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.31 +/- 1.21   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  24.43 +/- 1.00   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  23.29 +/- 0.88   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  22.62 +/- 1.05   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.367, support = 6.01, residual support = 35.1:
      O   HA    LEU  104 - HN    ASP- 105   3.61 +/- 0.04  75.486% * 76.6990% (0.34  10.0   6.28  38.06) =  91.568%  kept
          HA    ILE  103 - HN    ASP- 105   4.45 +/- 0.45  24.348% * 21.8961% (0.65   1.0   3.01   2.48) =   8.432%  kept
          HA    ASP-  44 - HN    ASP- 105  10.64 +/- 0.58   0.122% *  0.1878% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.67 +/- 0.54   0.026% *  0.0501% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  17.88 +/- 1.63   0.006% *  0.1800% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  18.71 +/- 1.70   0.005% *  0.1718% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.97 +/- 1.57   0.004% *  0.1718% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.94 +/- 1.04   0.001% *  0.1633% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.34 +/- 0.59   0.001% *  0.0625% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.35 +/- 1.91   0.000% *  0.1878% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  32.25 +/- 1.90   0.000% *  0.1950% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.51 +/- 0.89   0.001% *  0.0347% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.45:
          QD    PHE   97 - HN    VAL  107   5.24 +/- 1.31  98.798% * 98.5222% (0.87   1.50   2.45) =  99.986%  kept
          HZ3   TRP   87 - HN    VAL  107  12.45 +/- 1.18   1.111% *  1.2126% (0.80   0.02   0.02) =   0.014%
          HE3   TRP   49 - HN    VAL  107  19.15 +/- 1.26   0.091% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 9 structures by 1.03 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 26.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.08 100.000% *100.0000% (0.98  10.0   4.58  26.85) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 60.3:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  99.831% * 99.7406% (0.95  10.0   3.66  60.28) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   9.10 +/- 0.98   0.142% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  12.54 +/- 1.04   0.019% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.10 +/- 1.39   0.006% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.80 +/- 0.71   0.002% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.84, residual support = 56.9:
          QD    PHE   97 - HN    ASP- 105   3.48 +/- 0.50  99.909% * 99.6163% (0.87   5.84  56.87) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  12.37 +/- 1.80   0.090% *  0.3148% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.75 +/- 1.14   0.001% *  0.0689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.281, support = 0.0199, residual support = 0.0199:
          HA    THR   94 - HN    GLY  109   4.84 +/- 0.74  74.589% * 19.2756% (0.26   0.02   0.02) =  68.939%  kept
          HA    MET   92 - HN    GLY  109   5.95 +/- 0.89  25.277% * 25.3346% (0.34   0.02   0.02) =  30.706%  kept
          HA    LYS+  74 - HN    GLY  109  16.93 +/- 1.16   0.133% * 55.3898% (0.74   0.02   0.02) =   0.354%
    Distance limit 4.30 A violated in 2 structures by 0.39 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 = 0.515, support = 2.21, residual support = 8.31:
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.04  72.275% * 31.6430% (0.34  10.0   2.33   7.46) =  54.784%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.68 +/- 0.26  27.712% * 68.1141% (0.73  10.0   2.07   9.34) =  45.216%  kept
          HA    ALA   47 - HN    GLY  109  11.00 +/- 1.38   0.007% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    GLY  109  12.20 +/- 1.58   0.004% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.87 +/- 1.35   0.001% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.43 +/- 0.42   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.93 +/- 1.17   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.51 +/- 0.81  97.876% * 97.3111% (0.90   3.04   9.12) =  99.985%  kept
          HN    ILE   56 - HN    ALA  110   8.08 +/- 1.97   1.924% *  0.6990% (0.98   0.02   3.34) =   0.014%
          HZ2   TRP   87 - HN    ALA  110  17.37 +/- 3.18   0.155% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    ALA  110  14.63 +/- 1.33   0.028% *  0.6583% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.79 +/- 1.16   0.015% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  23.32 +/- 1.47   0.002% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  32.97 +/- 1.06   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.689, support = 2.05, residual support = 6.34:
      O   HA1   GLY  109 - HN    ALA  110   3.32 +/- 0.45  78.874% * 93.8842% (0.69  10.0   2.07   6.44) =  98.393%  kept
          HA    VAL  108 - HN    ALA  110   4.81 +/- 0.96  20.932% *  5.7754% (0.80   1.0   1.06   0.02) =   1.606%  kept
          HA    ALA   47 - HN    ALA  110  11.50 +/- 1.82   0.087% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ALA  110  11.64 +/- 1.87   0.095% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.52 +/- 1.81   0.012% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  24.50 +/- 1.18   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 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   2.55 +/- 0.23  99.047% * 98.1886% (0.18  10.0   2.74   9.59) =  99.996%  kept
          HA    ALA   91 - HN    ALA  110   8.22 +/- 1.69   0.409% *  0.5594% (1.00   1.0   0.02   0.02) =   0.002%
          HA    VAL  107 - HN    ALA  110   7.10 +/- 0.92   0.277% *  0.5304% (0.95   1.0   0.02   0.02) =   0.002%
          HA    PRO   52 - HN    ALA  110   8.49 +/- 2.02   0.267% *  0.1912% (0.34   1.0   0.02   0.02) =   0.001%
          HA    TRP   27 - HN    ALA  110  23.18 +/- 1.20   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 28.1:
        T HN    LYS+ 112 - HN    LYS+ 111   4.31 +/- 0.14  99.870% * 99.8172% (0.99 10.00   5.35  28.08) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.08 +/- 1.77   0.100% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  21.60 +/- 1.80   0.007% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  18.02 +/- 2.02   0.023% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  40.96 +/- 3.16   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.30 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.12:
        T HN    ALA  110 - HN    LYS+ 111   3.51 +/- 0.81  99.877% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  11.86 +/- 1.64   0.123% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.786, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.90 +/- 1.42  41.661% * 58.2608% (1.00   0.02   0.02) =  66.982%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.99 +/- 1.14  39.741% * 19.8732% (0.34   0.02   0.02) =  21.795%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.51 +/- 1.12  18.598% * 21.8659% (0.38   0.02   0.02) =  11.222%  kept
    Distance limit 4.37 A violated in 20 structures by 5.79 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   2.64 +/- 0.30  98.633% * 99.3312% (0.45  10.0   3.04   9.12) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   6.15 +/- 1.12   1.258% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    LYS+ 111  11.33 +/- 1.67   0.026% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111   9.72 +/- 1.78   0.077% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  14.28 +/- 1.24   0.005% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  24.38 +/- 1.52   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.1:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.28 +/- 0.19  99.981% * 99.8075% (0.53  10.0   7.10  28.08) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.77 +/- 0.72   0.017% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.22 +/- 1.37   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.63, residual support = 23.0:
        T HN    GLU- 114 - HN    ASP- 113   2.61 +/- 0.17  96.596% * 99.7300% (0.81 10.00   4.63  23.02) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.68 +/- 0.22   3.206% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.44 +/- 0.26   0.189% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.92 +/- 1.13   0.008% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  24.12 +/- 0.98   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 = 4.63, residual support = 23.0:
        T HN    ASP- 113 - HN    GLU- 114   2.61 +/- 0.17 100.000% *100.0000% (1.00 10.00   4.63  23.02) = 100.000%  kept
    Distance limit 3.00 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 = 3.62, residual support = 43.8:
      O   HA    GLU- 114 - HN    GLU- 114   2.83 +/- 0.03  97.107% * 99.6055% (0.97  10.0   3.62  43.78) =  99.998%  kept
          HA    LEU  115 - HN    GLU- 114   5.09 +/- 0.10   2.871% *  0.0543% (0.53   1.0   0.02  14.57) =   0.002%
          HA    CYS   53 - HN    GLU- 114  12.07 +/- 1.25   0.022% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.67 +/- 0.89   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.63 +/- 1.04   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.03 +/- 1.17   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  30.55 +/- 0.66   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.57:
          HA    LYS+ 111 - HN    ASP- 113   3.73 +/- 0.32  99.654% * 99.1919% (0.74   2.17   4.57) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.46 +/- 0.51   0.215% *  0.2632% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  13.01 +/- 1.58   0.120% *  0.3601% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  18.10 +/- 1.22   0.011% *  0.1849% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.39, residual support = 14.2:
      O   HA    ASP- 113 - HN    ASP- 113   2.77 +/- 0.06  99.897% * 99.6702% (0.85  10.0   3.39  14.18) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.79 +/- 1.54   0.086% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  12.36 +/- 1.17   0.015% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  16.89 +/- 0.46   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.02 +/- 0.99   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.65 +/- 0.86   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.58 +/- 1.08   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.918, support = 7.5, residual support = 83.7:
        T HN    GLN  116 - HN    LEU  115   2.75 +/- 0.12  37.695% * 85.3177% (0.99 10.00   8.12 102.48) =  78.619%  kept
          HN    GLU- 114 - HN    LEU  115   2.53 +/- 0.11  60.317% * 14.4978% (0.65  1.00   5.21  14.57) =  21.377%  kept
          HN    THR  118 - HN    LEU  115   4.49 +/- 0.12   1.964% *  0.0814% (0.95  1.00   0.02   0.02) =   0.004%
          HN    PHE   60 - HN    LEU  115   9.61 +/- 0.86   0.023% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  20.31 +/- 0.87   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  27.32 +/- 1.24   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.12, residual support = 102.5:
        T HN    LEU  115 - HN    GLN  116   2.75 +/- 0.12  99.993% * 99.8619% (0.98 10.00   8.12 102.48) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.85 +/- 0.99   0.007% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  35.02 +/- 2.75   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.59, residual support = 26.9:
        T HN    SER  117 - HN    GLN  116   2.76 +/- 0.13 100.000% * 99.8966% (0.97 10.00   5.59  26.88) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  24.01 +/- 1.04   0.000% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  25.85 +/- 1.17   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.966, support = 4.04, residual support = 14.8:
        T HN    THR  118 - HN    SER  117   2.63 +/- 0.13  55.934% * 48.6147% (0.95 10.00   2.82   5.34) =  55.990%  kept
        T HN    GLN  116 - HN    SER  117   2.76 +/- 0.13  41.959% * 50.9371% (0.99 10.00   5.59  26.88) =  44.008%  kept
          HN    GLU- 114 - HN    SER  117   4.55 +/- 0.19   2.097% *  0.0332% (0.65  1.00   0.02   0.11) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.33 +/- 0.78   0.009% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.70 +/- 1.25   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.70 +/- 1.33   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.93, residual support = 115.0:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.996% * 99.8062% (0.95  10.0   1.93 115.03) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.91 +/- 1.27   0.004% *  0.1057% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.15 +/- 1.40   0.000% *  0.0576% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.07 +/- 4.30   0.000% *  0.0305% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.93, residual support = 115.0:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.893% * 99.7477% (0.90  10.0 10.00   1.93 115.03) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   6.00 +/- 1.25   0.100% *  0.1090% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN  116  11.55 +/- 2.05   0.005% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.82 +/- 1.90   0.001% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  25.84 +/- 2.23   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.84 +/- 0.23  96.620% * 91.8913% (1.00   0.75   1.50) =  99.944%  kept
          HA    ILE   56 - HN    GLN  116   7.83 +/- 0.95   2.000% *  1.4896% (0.61   0.02   0.02) =   0.034%
          HA    PHE   59 - HN    GLN  116   8.35 +/- 1.07   1.288% *  1.4896% (0.61   0.02   0.30) =   0.022%
          HA    LEU  123 - HN    GLN  116  12.64 +/- 0.46   0.081% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.95 +/- 0.99   0.006% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  21.09 +/- 1.04   0.004% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  27.54 +/- 1.04   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.03, residual support = 115.0:
      O   HA    GLN  116 - HN    GLN  116   2.75 +/- 0.05  99.997% * 99.5202% (1.00  10.0   7.03 115.03) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  18.73 +/- 1.25   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  20.26 +/- 1.00   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.22 +/- 1.04   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.48 +/- 1.14   0.000% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  27.47 +/- 1.34   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.74 +/- 0.91   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  27.42 +/- 1.01   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.44 +/- 0.97   0.000% *  0.0723% (0.73   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 = 0.954, support = 7.13, residual support = 201.3:
      O   HA    LEU  115 - HN    LEU  115   2.80 +/- 0.03  82.037% * 60.5049% (1.00  10.0   7.44 227.80) =  87.576%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.60 +/- 0.03  17.951% * 39.2280% (0.65  10.0   4.91  14.57) =  12.424%  kept
          HA    ARG+  54 - HN    LEU  115  13.06 +/- 0.91   0.009% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.78 +/- 0.53   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.77 +/- 0.92   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  25.02 +/- 0.89   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.47 +/- 1.04   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  21.16 +/- 1.01   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  28.70 +/- 0.57   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.49, residual support = 14.9:
      O   HA    SER  117 - HN    SER  117   2.78 +/- 0.04  99.994% * 99.4282% (0.38  10.0   3.49  14.87) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  14.07 +/- 0.81   0.006% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  29.46 +/- 0.83   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  27.41 +/- 0.90   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.58, residual support = 55.4:
        T HN    ILE  119 - HN    ALA  120   2.61 +/- 0.06  99.999% * 99.2864% (0.83 10.00   5.58  55.36) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  22.71 +/- 1.02   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  21.87 +/- 1.04   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.79 +/- 1.35   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 6.77, residual support = 50.3:
          HN    HIS  122 - HN    LYS+ 121   2.73 +/- 0.03  99.078% * 99.4575% (0.80   6.77  50.25) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.30 +/- 0.82   0.905% *  0.0732% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  11.72 +/- 0.36   0.016% *  0.1782% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  20.85 +/- 1.43   0.001% *  0.2911% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 5.34, residual support = 31.2:
          HN    LEU  123 - HN    HIS  122   2.10 +/- 0.11  99.891% * 99.5383% (0.26   5.34  31.18) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.11   0.109% *  0.1280% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  18.32 +/- 2.43   0.000% *  0.1752% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.76 +/- 1.11   0.000% *  0.1585% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.34, residual support = 31.2:
          HN    HIS  122 - HN    LEU  123   2.10 +/- 0.11  99.950% * 99.0488% (0.87   5.34  31.18) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.09 +/- 1.23   0.048% *  0.2251% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  12.90 +/- 0.47   0.002% *  0.3836% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  22.68 +/- 1.72   0.000% *  0.3425% (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 = 12.2:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.995% * 99.5133% (1.00  10.0   4.09  12.22) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  16.69 +/- 2.34   0.001% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  16.15 +/- 2.42   0.002% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.28 +/- 1.37   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.49 +/- 0.73   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.34 +/- 0.82   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  19.59 +/- 2.08   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.82 +/- 2.42   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.23 +/- 3.08   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 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   2.70 +/- 0.26  99.994% * 99.5730% (1.00  10.0   1.81   9.23) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.85 +/- 0.54   0.004% *  0.0494% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.45 +/- 1.80   0.000% *  0.1064% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  21.46 +/- 2.11   0.001% *  0.0340% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  26.32 +/- 2.45   0.000% *  0.0758% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  22.23 +/- 2.20   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.90 +/- 1.86   0.000% *  0.0537% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  30.49 +/- 1.11   0.000% *  0.0883% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 31.2:
      O   HA    HIS  122 - HN    LEU  123   3.42 +/- 0.03  99.975% * 99.8702% (1.00  10.0   4.26  31.18) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  14.78 +/- 1.50   0.019% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  18.60 +/- 0.79   0.004% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  21.56 +/- 1.06   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 200.4:
      O   HA    LEU  123 - HN    LEU  123   2.82 +/- 0.03  99.959% * 99.5133% (1.00  10.0   5.95 200.40) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  14.51 +/- 1.83   0.008% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  12.76 +/- 0.56   0.012% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  14.96 +/- 1.17   0.005% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  14.32 +/- 1.87   0.009% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.91 +/- 0.54   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  22.29 +/- 1.79   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.58 +/- 1.34   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.07 +/- 2.22   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.62, residual support = 68.4:
          HD2   HIS  122 - HN    HIS  122   3.08 +/- 0.29  99.824% * 97.1894% (0.11   6.62  68.40) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.48 +/- 1.41   0.173% *  0.3247% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  18.75 +/- 2.42   0.003% *  0.9329% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  26.14 +/- 1.85   0.000% *  0.7274% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  29.60 +/- 1.30   0.000% *  0.8256% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.23, residual support = 68.4:
      O   HA    HIS  122 - HN    HIS  122   2.91 +/- 0.02  99.984% * 99.8131% (0.30  10.0   5.23  68.40) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.35 +/- 1.31   0.013% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  16.76 +/- 0.71   0.003% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.64, residual support = 235.7:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.75 +/- 0.01  80.490% * 38.4533% (0.49  10.0   6.32 316.12) =  74.406%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.55 +/- 0.04  17.400% * 61.1842% (0.77  10.0   3.65   1.92) =  25.593%  kept
          QB    SER  117 - HN    LYS+ 121   5.13 +/- 0.36   2.102% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  14.76 +/- 1.08   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.07 +/- 0.62   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.25 +/- 1.48   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  22.63 +/- 0.88   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  24.12 +/- 0.79   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.23 +/- 0.86   0.000% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.42 +/- 0.92   0.000% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  23.96 +/- 0.96   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.41 +/- 1.40   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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   2.79 +/- 0.05  94.658% * 99.2369% (0.74  10.0   3.61  14.23) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.13 +/- 0.16   2.516% *  0.0465% (0.35   1.0   0.02   1.92) =   0.001%
          QB    SER  117 - HN    ALA  120   5.04 +/- 0.18   2.815% *  0.0168% (0.12   1.0   0.02   5.53) =   0.001%
          HA    LYS+  65 - HN    ALA  120  14.54 +/- 0.98   0.005% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.29 +/- 0.77   0.002% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  19.13 +/- 1.53   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.10 +/- 0.91   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  22.05 +/- 0.96   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.63 +/- 0.77   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.96 +/- 0.99   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.53 +/- 0.91   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  23.13 +/- 1.15   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.15 +/- 1.33   0.000% *  0.0423% (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 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.18, residual support = 12.2:
          HB2   LEU  123 - HN    ALA  124   4.00 +/- 0.42  99.320% * 96.1934% (0.76   4.18  12.22) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.64 +/- 0.14   0.566% *  0.4368% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  14.41 +/- 1.61   0.072% *  0.4597% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  19.50 +/- 2.53   0.012% *  0.5691% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  21.18 +/- 2.38   0.006% *  0.5691% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  21.67 +/- 1.33   0.005% *  0.4817% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.78 +/- 0.84   0.005% *  0.2928% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  20.46 +/- 2.17   0.008% *  0.1191% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  23.00 +/- 1.46   0.003% *  0.1500% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  28.32 +/- 1.69   0.001% *  0.5025% (0.84   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.64 +/- 1.06   0.002% *  0.2258% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 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   2.26 +/- 0.30  99.987% * 98.5515% (0.65  10.0   1.81   9.23) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  13.40 +/- 1.23   0.004% *  0.0632% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.39 +/- 1.51   0.003% *  0.0953% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.49 +/- 1.97   0.002% *  0.0953% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.78 +/- 1.57   0.000% *  0.1460% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.15 +/- 1.94   0.000% *  0.1287% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  17.58 +/- 1.08   0.001% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.16 +/- 1.23   0.000% *  0.1287% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.55 +/- 1.16   0.000% *  0.1510% (0.90   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.15 +/- 3.65   0.001% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  22.89 +/- 2.59   0.000% *  0.1157% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.70 +/- 1.64   0.000% *  0.1089% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.30 +/- 0.96   0.000% *  0.1460% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  24.02 +/- 2.54   0.000% *  0.0820% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.76 +/- 1.94   0.000% *  0.0295% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  28.78 +/- 1.12   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 = 0.985, support = 3.55, residual support = 24.3:
          HA    ALA  120 - HN    LEU  123   2.64 +/- 0.16  91.487% * 67.3820% (0.99   3.61  25.21) =  96.000%  kept
          HA    LYS+ 121 - HN    LEU  123   3.99 +/- 0.09   8.406% * 30.5558% (0.84   1.95   2.19) =   4.000%  kept
          QB    SER  117 - HN    LEU  123   8.34 +/- 0.32   0.097% *  0.1831% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.43 +/- 1.38   0.006% *  0.2584% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.14 +/- 1.54   0.002% *  0.2875% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.61 +/- 0.66   0.001% *  0.3373% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  24.21 +/- 0.99   0.000% *  0.3630% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.41 +/- 1.07   0.000% *  0.2875% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  26.20 +/- 0.89   0.000% *  0.2875% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.48 +/- 0.94   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.988, support = 4.68, residual support = 30.7:
          HB3   HIS  122 - HN    LEU  123   3.79 +/- 0.43  92.089% * 84.5876% (0.99   4.74  31.18) =  98.492%  kept
          QE    LYS+ 121 - HN    LEU  123   6.56 +/- 1.08   7.906% * 15.0880% (0.76   1.10   2.19) =   1.508%  kept
          HG2   GLN   30 - HN    LEU  123  23.38 +/- 1.20   0.002% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  25.84 +/- 1.80   0.001% *  0.1754% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.61 +/- 1.54   0.001% *  0.0488% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.51, residual support = 200.4:
          HG    LEU  123 - HN    LEU  123   3.58 +/- 0.19  92.466% * 96.6340% (0.76   5.52 200.40) =  99.982%  kept
          HG3   PRO   68 - HN    LEU  123   8.29 +/- 2.35   2.800% *  0.3977% (0.87   0.02   0.02) =   0.012%
          QB    LYS+  66 - HN    LEU  123   7.21 +/- 1.79   4.368% *  0.0907% (0.20   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    LEU  123   9.99 +/- 1.34   0.265% *  0.3504% (0.76   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LEU  123  13.58 +/- 0.91   0.036% *  0.2056% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  17.79 +/- 1.51   0.007% *  0.3830% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.82 +/- 1.66   0.011% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.55 +/- 1.52   0.013% *  0.1564% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.06 +/- 1.78   0.025% *  0.0621% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.14 +/- 1.76   0.002% *  0.3671% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.43 +/- 1.15   0.002% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.51 +/- 1.16   0.002% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  26.06 +/- 1.12   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  26.16 +/- 0.78   0.001% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.14 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.87, residual support = 200.4:
      O   HB2   LEU  123 - HN    LEU  123   2.41 +/- 0.46  98.019% * 99.1788% (0.76  10.0   5.87 200.40) =  99.998%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.13 +/- 0.08   1.969% *  0.0942% (0.73   1.0   0.02   2.19) =   0.002%
          QD    LYS+  65 - HN    LEU  123  13.68 +/- 1.23   0.005% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  17.57 +/- 1.28   0.001% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  18.48 +/- 1.96   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  18.63 +/- 1.88   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.59 +/- 0.85   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.29 +/- 1.89   0.001% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.42 +/- 0.98   0.001% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  24.87 +/- 1.47   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.87 +/- 0.99   0.000% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.897, support = 6.38, residual support = 200.4:
          QD1   LEU  123 - HN    LEU  123   2.26 +/- 0.35  96.628% * 98.8092% (0.90   6.38 200.40) =  99.997%  kept
          QD2   LEU  123 - HN    LEU  123   4.21 +/- 0.10   2.892% *  0.0533% (0.15   0.02 200.40) =   0.002%
          QG1   VAL   70 - HN    LEU  123   8.31 +/- 1.57   0.376% *  0.2371% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU  123  11.75 +/- 1.99   0.014% *  0.3421% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.42 +/- 1.23   0.082% *  0.0533% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.55 +/- 1.72   0.004% *  0.3096% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  13.01 +/- 1.51   0.005% *  0.1954% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.246, support = 6.45, residual support = 33.8:
      O   HA    LYS+ 121 - HN    HIS  122   3.50 +/- 0.02  49.037% * 66.0447% (0.20  10.0   6.66  50.25) =  65.875%  kept
          HA    ALA  120 - HN    HIS  122   3.49 +/- 0.14  50.398% * 33.2887% (0.33   1.0   6.03   2.04) =  34.124%  kept
          QB    SER  117 - HN    HIS  122   7.50 +/- 0.32   0.526% *  0.0291% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  12.80 +/- 1.27   0.025% *  0.1077% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  15.84 +/- 1.37   0.007% *  0.1126% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.62 +/- 0.61   0.004% *  0.0755% (0.23   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  22.73 +/- 0.91   0.001% *  0.0892% (0.27   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  24.39 +/- 0.84   0.000% *  0.1126% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.97 +/- 0.83   0.001% *  0.0398% (0.12   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.10 +/- 0.94   0.000% *  0.0568% (0.17   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.16 +/- 1.37   0.000% *  0.0231% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.65 +/- 1.04   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.264, support = 4.15, residual support = 13.0:
          HA    ILE  119 - HN    HIS  122   3.72 +/- 0.29  86.446% * 55.2241% (0.27   4.15  14.22) =  88.937%  kept
          HA    THR  118 - HN    HIS  122   5.20 +/- 0.24  13.502% * 43.9790% (0.21   4.16   2.79) =  11.063%  kept
          HD3   PRO   58 - HN    HIS  122  13.84 +/- 0.57   0.035% *  0.0969% (0.10   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  18.72 +/- 0.71   0.006% *  0.1834% (0.19   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.90 +/- 0.89   0.008% *  0.1076% (0.11   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  21.92 +/- 0.89   0.002% *  0.1697% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  26.87 +/- 1.05   0.001% *  0.2394% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.35, residual support = 68.4:
      O   HB2   HIS  122 - HN    HIS  122   3.36 +/- 0.54  97.642% * 99.5910% (0.11  10.0   5.35  68.40) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.25 +/- 0.98   2.321% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  12.98 +/- 0.52   0.037% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  26.52 +/- 1.33   0.001% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.324, support = 6.04, residual support = 68.1:
      O   HB3   HIS  122 - HN    HIS  122   2.88 +/- 0.44  92.382% * 82.7004% (0.33  10.0   6.04  68.40) =  98.312%  kept
          QE    LYS+ 121 - HN    HIS  122   5.50 +/- 1.06   7.617% * 17.2260% (0.21   1.0   6.34  50.25) =   1.688%  kept
          HB3   ASP-  78 - HN    HIS  122  24.18 +/- 1.70   0.000% *  0.0580% (0.23   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  21.99 +/- 1.05   0.001% *  0.0157% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.316, support = 7.19, residual support = 48.1:
          HB2   LYS+ 121 - HN    HIS  122   3.45 +/- 0.17  74.421% * 72.2933% (0.33   7.43  50.25) =  88.807%  kept
          HB2   LEU  123 - HN    HIS  122   4.31 +/- 0.61  25.490% * 26.6028% (0.17   5.31  31.18) =  11.193%  kept
          QD    LYS+  65 - HN    HIS  122  13.19 +/- 1.15   0.028% *  0.1986% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  17.14 +/- 1.89   0.007% *  0.1494% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  17.90 +/- 1.64   0.005% *  0.2039% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  15.98 +/- 1.24   0.009% *  0.1083% (0.19   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.05 +/- 0.75   0.018% *  0.0360% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  16.93 +/- 1.77   0.006% *  0.0846% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.39 +/- 0.91   0.007% *  0.0513% (0.09   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  22.93 +/- 1.39   0.001% *  0.2039% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.98 +/- 1.29   0.006% *  0.0317% (0.05   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  18.68 +/- 0.90   0.003% *  0.0360% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.308, support = 6.51, residual support = 50.2:
          HB3   LYS+ 121 - HN    HIS  122   3.83 +/- 0.36  64.936% * 67.5414% (0.35   6.38  50.25) =  80.850%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.62 +/- 1.06  32.982% * 31.4866% (0.15   7.09  50.25) =  19.144%  kept
          QD    LYS+  66 - HN    HIS  122   8.40 +/- 2.23   1.935% *  0.1730% (0.28   0.02   0.02) =   0.006%
          HG    LEU  104 - HN    HIS  122  12.05 +/- 1.96   0.079% *  0.2118% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  14.47 +/- 1.04   0.020% *  0.1995% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.63 +/- 1.44   0.036% *  0.0737% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  17.32 +/- 1.83   0.007% *  0.1938% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.28 +/- 0.82   0.003% *  0.0601% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.30 +/- 1.82   0.002% *  0.0601% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.39, residual support = 31.2:
          QD1   LEU  123 - HN    HIS  122   3.14 +/- 0.40  96.797% * 98.5053% (0.31   6.39  31.18) =  99.989%  kept
          QG1   VAL   70 - HN    HIS  122   7.39 +/- 1.42   2.182% *  0.3523% (0.35   0.02   0.02) =   0.008%
          HB3   LEU   63 - HN    HIS  122   7.91 +/- 1.02   0.723% *  0.2300% (0.23   0.02   0.02) =   0.002%
          HB3   LEU  104 - HN    HIS  122  10.33 +/- 1.99   0.206% *  0.1870% (0.19   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  11.95 +/- 1.38   0.053% *  0.3547% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  13.85 +/- 1.51   0.027% *  0.3084% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.84 +/- 0.75   0.012% *  0.0623% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 2.65, residual support = 6.17:
          HA    THR  118 - HN    LYS+ 121   3.39 +/- 0.25  74.089% * 34.4076% (0.49   2.22   8.48) =  60.455%  kept
          HA    ILE  119 - HN    LYS+ 121   4.06 +/- 0.07  25.883% * 64.4260% (0.61   3.31   2.64) =  39.545%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.54 +/- 0.45   0.019% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.22 +/- 0.83   0.007% *  0.1574% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  19.47 +/- 0.67   0.002% *  0.2684% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  21.72 +/- 0.86   0.001% *  0.2483% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.39 +/- 1.07   0.000% *  0.3504% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 6.85, residual support = 316.1:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.18 +/- 0.29  99.058% * 99.3852% (0.76  10.0   6.85 316.12) = 100.000%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.10 +/- 0.62   0.930% *  0.0511% (0.39   1.0   0.02   2.19) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.67 +/- 0.98   0.001% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  14.72 +/- 1.39   0.002% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.05 +/- 0.93   0.002% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  17.10 +/- 1.63   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  13.88 +/- 0.86   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.13 +/- 1.45   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.62 +/- 1.26   0.002% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.19 +/- 1.62   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  17.45 +/- 1.05   0.001% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  23.19 +/- 1.37   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.519, support = 5.19, residual support = 223.8:
          HD2   LYS+ 121 - HN    LYS+ 121   3.37 +/- 0.56  32.927% * 81.8653% (0.64   5.90 316.12) =  70.620%  kept
          QB    ALA  120 - HN    LYS+ 121   2.85 +/- 0.12  66.908% * 16.7607% (0.22   3.48   1.92) =  29.379%  kept
          QD    LYS+  66 - HN    LYS+ 121  10.13 +/- 2.05   0.063% *  0.1425% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   8.94 +/- 0.86   0.088% *  0.0964% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.93 +/- 1.29   0.009% *  0.1687% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.33 +/- 1.29   0.003% *  0.3006% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.72 +/- 1.22   0.001% *  0.3458% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.43 +/- 0.84   0.000% *  0.3199% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.88, residual support = 316.1:
          HG2   LYS+ 121 - HN    LYS+ 121   3.98 +/- 0.31  91.928% * 99.0718% (0.77   5.88 316.12) =  99.990%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.22 +/- 0.20   6.780% *  0.0691% (0.16   0.02   2.64) =   0.005%
          QG2   VAL  107 - HN    LYS+ 121   8.38 +/- 0.59   1.227% *  0.3461% (0.79   0.02   0.02) =   0.005%
          HG13  ILE  103 - HN    LYS+ 121  14.42 +/- 1.35   0.055% *  0.2259% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.90 +/- 0.87   0.006% *  0.2259% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.51 +/- 1.42   0.003% *  0.0612% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.16 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.19:
          QD1   LEU  123 - HN    LYS+ 121   4.41 +/- 0.08  86.615% * 90.0593% (0.72   2.20   2.19) =  99.235%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.52 +/- 0.05   8.314% *  6.9384% (0.12   0.99   2.19) =   0.734%  kept
          QG1   VAL   70 - HN    LYS+ 121   9.00 +/- 1.37   1.934% *  0.6258% (0.55   0.02   0.02) =   0.015%
          HB3   LEU  104 - HN    LYS+ 121  10.14 +/- 1.76   0.915% *  0.9030% (0.79   0.02   0.02) =   0.011%
          HB3   LEU   63 - HN    LYS+ 121   8.94 +/- 1.26   2.040% *  0.1406% (0.12   0.02   0.02) =   0.004%
          QG1   VAL   18 - HN    LYS+ 121  13.33 +/- 1.30   0.131% *  0.5158% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    LYS+ 121  15.57 +/- 1.38   0.051% *  0.8171% (0.72   0.02   0.02) =   0.001%
    Distance limit 4.09 A violated in 0 structures by 0.25 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.03, residual support = 55.4:
          HB    ILE  119 - HN    ALA  120   2.59 +/- 0.13  99.963% * 97.4764% (0.90   5.03  55.36) = 100.000%  kept
          HB3   PRO   68 - HN    ALA  120  13.37 +/- 1.98   0.008% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.64 +/- 0.86   0.014% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  12.63 +/- 1.28   0.009% *  0.1772% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.93 +/- 0.56   0.003% *  0.3301% (0.77   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.66 +/- 1.09   0.001% *  0.3020% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.43 +/- 1.79   0.000% *  0.3943% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.47 +/- 1.44   0.000% *  0.3874% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  23.93 +/- 1.65   0.000% *  0.3738% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  19.43 +/- 1.43   0.001% *  0.0985% (0.23   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  20.43 +/- 1.26   0.000% *  0.0985% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.04, residual support = 14.2:
      O   QB    ALA  120 - HN    ALA  120   2.11 +/- 0.05  99.301% * 99.1734% (0.49  10.0   4.04  14.23) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.34 +/- 0.84   0.570% *  0.0992% (0.49   1.0   0.02   1.92) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.21 +/- 1.01   0.095% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.56 +/- 2.03   0.025% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.64 +/- 2.73   0.006% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.77 +/- 1.41   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.85 +/- 1.25   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.82 +/- 1.26   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.06 +/- 0.89   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 55.4:
          QG2   ILE  119 - HN    ALA  120   3.45 +/- 0.22  99.613% * 96.6193% (0.49   5.63  55.36) =  99.998%  kept
          QD1   LEU   67 - HN    ALA  120  11.14 +/- 2.42   0.203% *  0.5220% (0.74   0.02   0.02) =   0.001%
          QD2   LEU   40 - HN    ALA  120  11.41 +/- 1.17   0.104% *  0.4982% (0.71   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    ALA  120  12.95 +/- 1.13   0.043% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  15.21 +/- 1.06   0.016% *  0.4734% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.55 +/- 1.43   0.010% *  0.5445% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.30 +/- 1.63   0.004% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  17.07 +/- 0.74   0.008% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 14.9:
      O   QB    SER  117 - HN    SER  117   2.17 +/- 0.06  99.891% * 97.2780% (0.25  10.0   2.79  14.87) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.42 +/- 0.41   0.067% *  0.3690% (0.95   1.0   0.02   5.53) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.12 +/- 0.45   0.040% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.86 +/- 0.75   0.001% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.69 +/- 0.69   0.000% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.98 +/- 1.09   0.000% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.01 +/- 0.85   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.94 +/- 1.11   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  22.95 +/- 1.42   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.38 +/- 0.79   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  22.61 +/- 0.93   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.88 +/- 1.44   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 = 0.379, support = 5.15, residual support = 26.9:
          HG3   GLN  116 - HN    SER  117   5.00 +/- 0.26  41.745% * 69.0679% (0.49   5.02  26.88) =  62.579%  kept
          HG2   GLN  116 - HN    SER  117   4.73 +/- 0.52  57.626% * 29.9178% (0.20   5.35  26.88) =  37.419%  kept
          HB3   PHE   95 - HN    SER  117  10.38 +/- 0.96   0.613% *  0.1409% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  19.14 +/- 0.97   0.015% *  0.3198% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.79 +/- 1.06   0.001% *  0.5537% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.30 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 26.9:
          HB2   GLN  116 - HN    SER  117   2.95 +/- 0.21  99.952% * 98.7708% (0.97   4.88  26.88) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.42 +/- 1.25   0.026% *  0.4193% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.71 +/- 1.56   0.021% *  0.3045% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.71 +/- 1.13   0.001% *  0.3760% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  23.40 +/- 1.24   0.001% *  0.1294% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.03, residual support = 115.0:
          HG2   GLN  116 - HN    GLN  116   3.16 +/- 0.43  99.867% * 99.4053% (0.73   7.03 115.03) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116  10.16 +/- 0.85   0.133% *  0.3119% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  32.32 +/- 1.02   0.000% *  0.2828% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.64, residual support = 115.0:
      O   HB2   GLN  116 - HN    GLN  116   2.15 +/- 0.11  99.986% * 99.6757% (0.98  10.0   7.64 115.03) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.72 +/- 1.84   0.012% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.53 +/- 1.07   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  24.21 +/- 0.87   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  22.22 +/- 1.47   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  28.26 +/- 1.02   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.4, residual support = 97.9:
          HB2   LEU  115 - HN    GLN  116   3.29 +/- 0.36  88.253% * 68.6020% (0.80   7.56 102.48) =  95.542%  kept
          QB    GLU- 114 - HN    GLN  116   4.99 +/- 0.32   9.258% * 30.5060% (0.69   3.92   0.18) =   4.457%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.45 +/- 0.78   2.321% *  0.0350% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116  10.68 +/- 1.66   0.146% *  0.1894% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  16.74 +/- 1.80   0.008% *  0.1894% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.53 +/- 1.51   0.009% *  0.0932% (0.41   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.93 +/- 1.24   0.003% *  0.0449% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  23.62 +/- 0.83   0.001% *  0.1732% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.50 +/- 1.45   0.001% *  0.0449% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  23.96 +/- 0.93   0.001% *  0.0449% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.67 +/- 0.88   0.000% *  0.0773% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.785, support = 8.48, residual support = 102.5:
          HG    LEU  115 - HN    GLN  116   2.85 +/- 0.89  80.058% * 43.4563% (0.73   8.58 102.48) =  76.918%  kept
          HB3   LEU  115 - HN    GLN  116   3.95 +/- 0.40  18.694% * 55.8400% (0.98   8.17 102.48) =  23.079%  kept
          QB    ALA  120 - HN    GLN  116   6.33 +/- 0.63   1.207% *  0.1013% (0.73   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    GLN  116  11.80 +/- 1.58   0.026% *  0.0524% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  16.15 +/- 2.46   0.006% *  0.1395% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.79 +/- 1.29   0.002% *  0.1368% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.06 +/- 1.46   0.004% *  0.0311% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.83 +/- 1.05   0.001% *  0.0679% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.11 +/- 1.81   0.000% *  0.0958% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  22.46 +/- 0.78   0.000% *  0.0790% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 102.5:
          QD1   LEU  115 - HN    GLN  116   3.86 +/- 0.53  99.951% * 99.6305% (0.49   7.61 102.48) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  14.25 +/- 0.60   0.049% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 102.5:
          QD2   LEU  115 - HN    GLN  116   2.35 +/- 0.50  99.750% * 98.5890% (0.57  10.00 102.48) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.89 +/- 0.82   0.152% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN  116   8.79 +/- 1.00   0.089% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  14.16 +/- 0.91   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  19.35 +/- 0.97   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.86 +/- 0.86   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.30 +/- 0.87   0.002% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.65 +/- 1.31   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  20.36 +/- 1.37   0.000% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.713, support = 1.44, residual support = 13.1:
          QD1   ILE  119 - HN    GLN  116   4.63 +/- 0.82  68.262% * 89.3879% (0.73   1.49  13.60) =  96.392%  kept
          HG3   LYS+ 112 - HN    GLN  116   5.55 +/- 0.63  30.816% *  7.3613% (0.38   0.24   0.02) =   3.584%  kept
          QG2   VAL  108 - HN    GLN  116  10.10 +/- 0.80   0.847% *  1.6543% (1.00   0.02   0.02) =   0.022%
          HB2   LEU  104 - HN    GLN  116  14.97 +/- 0.94   0.075% *  1.5965% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.75 A violated in 0 structures by 0.06 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.23:
          HA    LYS+ 112 - HN    LEU  115   3.29 +/- 0.33  99.950% * 94.6610% (0.90   0.75   2.23) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.14 +/- 0.86   0.031% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.27 +/- 1.00   0.018% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.22, residual support = 102.5:
          HB2   GLN  116 - HN    LEU  115   4.58 +/- 0.15  98.887% * 95.8035% (0.22   5.22 102.48) =  99.988%  kept
          HB2   PRO   58 - HN    LEU  115  11.69 +/- 1.91   0.616% *  1.3200% (0.80   0.02   0.02) =   0.009%
          HG2   PRO   52 - HN    LEU  115  12.85 +/- 1.16   0.248% *  0.7391% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   97 - HN    LEU  115  12.80 +/- 0.89   0.235% *  0.5623% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  22.04 +/- 1.01   0.008% *  0.2544% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.75 +/- 0.68   0.005% *  0.2544% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  32.10 +/- 0.88   0.001% *  1.0664% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.38 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.795, support = 7.25, residual support = 217.1:
      O   HB2   LEU  115 - HN    LEU  115   2.18 +/- 0.34  77.420% * 82.5064% (0.80  10.0   7.37 227.80) =  94.960%  kept
          QB    GLU- 114 - HN    LEU  115   2.86 +/- 0.42  19.836% * 17.0882% (0.69   1.0   4.83  14.57) =   5.039%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.45 +/- 1.05   2.735% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  11.44 +/- 1.87   0.007% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  17.89 +/- 1.85   0.000% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.04 +/- 1.40   0.001% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  23.27 +/- 0.63   0.000% *  0.0787% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  19.06 +/- 1.16   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  23.03 +/- 1.27   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  24.34 +/- 0.82   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  30.40 +/- 0.80   0.000% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.945, support = 7.5, residual support = 227.8:
      O   HB3   LEU  115 - HN    LEU  115   3.17 +/- 0.33  63.168% * 77.7449% (0.98  10.0   7.49 227.80) =  86.017%  kept
          HG    LEU  115 - HN    LEU  115   3.67 +/- 0.69  36.528% * 21.8550% (0.73   1.0   7.59 227.80) =  13.983%  kept
          QB    ALA  120 - HN    LEU  115   8.00 +/- 0.52   0.270% *  0.0576% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  13.15 +/- 1.66   0.019% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.69 +/- 2.46   0.006% *  0.0793% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.67 +/- 1.24   0.002% *  0.0777% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.52 +/- 1.41   0.004% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.92 +/- 0.88   0.001% *  0.0386% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.02 +/- 1.82   0.001% *  0.0545% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  21.70 +/- 0.80   0.001% *  0.0449% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.527, support = 1.47, residual support = 5.95:
          QG2   VAL  107 - HN    LEU  115   3.65 +/- 0.77  85.918% * 56.7419% (0.53   1.50   5.97) =  96.499%  kept
          HG13  ILE  119 - HN    LEU  115   6.99 +/- 1.06   3.604% * 34.4103% (0.73   0.66   6.54) =   2.454%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.58 +/- 1.09  10.328% *  5.1030% (0.15   0.46   2.23) =   1.043%  kept
          HG2   LYS+ 121 - HN    LEU  115  11.42 +/- 0.92   0.127% *  1.0993% (0.76   0.02   0.02) =   0.003%
          QB    ALA   20 - HN    LEU  115  20.71 +/- 0.85   0.003% *  1.4353% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.31 +/- 1.07   0.019% *  0.2220% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.65 +/- 1.05   0.001% *  0.9881% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.10 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.05, residual support = 227.8:
          QD2   LEU  115 - HN    LEU  115   3.34 +/- 0.77  98.517% * 98.8220% (0.65   9.05 227.80) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.80 +/- 1.02   1.338% *  0.1042% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU  115  13.82 +/- 0.70   0.037% *  0.3029% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  11.84 +/- 0.81   0.088% *  0.1152% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.71 +/- 1.59   0.007% *  0.3195% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.49 +/- 1.20   0.005% *  0.2320% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  18.61 +/- 0.87   0.007% *  0.1042% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 227.8:
          QD1   LEU  115 - HN    LEU  115   3.85 +/- 0.56  99.920% * 99.6809% (0.80   7.38 227.80) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  13.13 +/- 0.56   0.080% *  0.3191% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.539, support = 6.72, residual support = 138.1:
      O   HB    ILE  103 - HN    ILE  103   2.10 +/- 0.06  91.682% * 65.0510% (0.53  10.0   6.71 138.11) =  95.479%  kept
          HG12  ILE  103 - HN    ILE  103   3.23 +/- 0.28   8.250% * 34.2295% (0.80   1.0   6.91 138.11) =   4.521%  kept
          HB    VAL   41 - HN    ILE  103   8.98 +/- 1.01   0.019% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.90 +/- 0.46   0.035% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.40 +/- 0.32   0.012% *  0.0554% (0.45   1.0   0.02   2.48) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.32 +/- 1.18   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  18.60 +/- 2.49   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.94 +/- 1.18   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.11 +/- 1.57   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  18.76 +/- 0.92   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  20.06 +/- 1.88   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.77 +/- 1.31   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  20.05 +/- 1.29   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  28.10 +/- 1.39   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 6.2, residual support = 138.1:
          HG13  ILE  103 - HN    ILE  103   4.15 +/- 0.11  99.352% * 98.5386% (0.65   6.20 138.11) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.98 +/- 0.51   0.113% *  0.4867% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  103  14.22 +/- 1.68   0.085% *  0.4739% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.35 +/- 1.74   0.427% *  0.0860% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.57 +/- 0.70   0.010% *  0.3177% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.76 +/- 1.63   0.014% *  0.0972% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.28 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.729, support = 5.96, residual support = 138.1:
          QG2   ILE  103 - HN    ILE  103   3.51 +/- 0.11  29.325% * 70.6285% (1.00   6.28 138.11) =  50.880%  kept
          QD1   ILE  103 - HN    ILE  103   2.94 +/- 0.61  70.326% * 28.4311% (0.45   5.64 138.11) =  49.118%  kept
          QD2   LEU   40 - HN    ILE  103   7.44 +/- 0.34   0.323% *  0.2171% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  13.72 +/- 2.39   0.013% *  0.2205% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.15 +/- 0.83   0.006% *  0.1274% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  15.28 +/- 1.31   0.004% *  0.0925% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.51 +/- 1.27   0.002% *  0.0625% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.82 +/- 1.03   0.001% *  0.2205% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.46, residual support = 216.5:
          HG    LEU  104 - HN    LEU  104   3.22 +/- 0.39  96.578% * 97.6274% (0.45   7.46 216.51) =  99.986%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.96 +/- 0.42   3.124% *  0.4011% (0.69   0.02   0.02) =   0.013%
          HB3   LYS+ 121 - HN    LEU  104   9.23 +/- 1.44   0.276% *  0.2618% (0.45   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    LEU  104  15.82 +/- 2.28   0.011% *  0.3306% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  17.13 +/- 1.41   0.006% *  0.5788% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  19.04 +/- 1.32   0.003% *  0.3542% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.14 +/- 0.91   0.002% *  0.4462% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.28, support = 7.01, residual support = 128.9:
      O   HB2   LEU  104 - HN    LEU  104   2.64 +/- 0.25  34.559% * 65.8744% (0.22  10.0   7.39 216.51) =  51.232%  kept
          QG2   ILE  103 - HN    LEU  104   2.34 +/- 0.39  65.001% * 33.3379% (0.34   1.0   6.61  36.79) =  48.766%  kept
          QD2   LEU   40 - HN    LEU  104   5.43 +/- 0.38   0.421% *  0.1440% (0.49   1.0   0.02   0.02) =   0.001%
          QD1   LEU   67 - HN    LEU  104  11.33 +/- 2.76   0.015% *  0.1327% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  13.75 +/- 1.02   0.002% *  0.2933% (0.99   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  13.02 +/- 1.12   0.002% *  0.1440% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.98 +/- 0.97   0.000% *  0.0738% (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 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.77, support = 7.07, residual support = 160.1:
          QD2   LEU  104 - HN    LEU  104   3.70 +/- 0.75  60.051% * 63.8495% (0.80   7.80 216.51) =  72.792%  kept
          QD1   LEU   98 - HN    LEU  104   4.00 +/- 0.51  39.909% * 35.9095% (0.69   5.11   9.31) =  27.208%  kept
          QD1   ILE   19 - HN    LEU  104  15.82 +/- 0.87   0.011% *  0.1323% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.45 +/- 0.86   0.018% *  0.0455% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.86 +/- 1.04   0.011% *  0.0631% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.682, support = 7.52, residual support = 56.4:
          HB2   PHE   97 - HN    ASP- 105   2.25 +/- 0.60  94.936% * 80.0924% (0.69   7.56  56.87) =  98.795%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.18 +/- 1.18   4.869% * 19.0383% (0.25   4.95  21.49) =   1.204%  kept
          QE    LYS+  99 - HN    ASP- 105   8.46 +/- 0.88   0.099% *  0.2768% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.95 +/- 1.03   0.091% *  0.1269% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.26 +/- 1.15   0.002% *  0.1997% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.80 +/- 0.89   0.001% *  0.2241% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.16 +/- 1.03   0.004% *  0.0418% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.5, residual support = 56.9:
          HB3   PHE   97 - HN    ASP- 105   2.81 +/- 0.59  99.949% * 98.6910% (0.90   5.50  56.87) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.63 +/- 0.65   0.038% *  0.4000% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.85 +/- 1.08   0.007% *  0.3921% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  18.83 +/- 1.47   0.002% *  0.1793% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  20.33 +/- 0.83   0.001% *  0.2264% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.45 +/- 1.25   0.002% *  0.1112% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.72, residual support = 42.3:
      O   HB2   ASP- 105 - HN    ASP- 105   3.68 +/- 0.18  99.571% * 99.3924% (0.80  10.0   4.72  42.34) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  11.50 +/- 1.32   0.146% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.65 +/- 0.84   0.069% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  12.14 +/- 0.89   0.086% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.11 +/- 0.94   0.090% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.64 +/- 1.04   0.006% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  16.71 +/- 1.54   0.015% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  19.99 +/- 0.57   0.004% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  22.18 +/- 1.11   0.002% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.37 +/- 1.41   0.008% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.80 +/- 1.21   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.766, support = 4.58, residual support = 42.2:
      O   HB3   ASP- 105 - HN    ASP- 105   2.71 +/- 0.24  96.236% * 76.9417% (0.76  10.0   4.58  42.34) =  99.194%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.07 +/- 0.21   2.696% * 22.2999% (0.98   1.0   4.52  21.49) =   0.805%  kept
          HB    ILE  103 - HN    ASP- 105   6.04 +/- 0.45   1.044% *  0.0692% (0.69   1.0   0.02   2.48) =   0.001%
          HG3   PRO   68 - HN    ASP- 105  14.26 +/- 2.60   0.010% *  0.0651% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  15.28 +/- 0.73   0.004% *  0.0731% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.27 +/- 1.30   0.002% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  17.30 +/- 0.88   0.002% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  17.19 +/- 1.26   0.002% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  19.32 +/- 1.52   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.20 +/- 0.91   0.002% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.44 +/- 0.99   0.001% *  0.0972% (0.97   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.49 +/- 1.25   0.000% *  0.0731% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.53 +/- 1.20   0.001% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.497, support = 5.84, residual support = 34.7:
          HG    LEU  104 - HN    ASP- 105   4.36 +/- 0.34  74.255% * 50.5466% (0.45   6.33  38.06) =  79.563%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.54 +/- 0.38  19.963% * 48.2504% (0.69   3.94  21.49) =  20.418%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.26 +/- 1.39   5.639% *  0.1597% (0.45   0.02   0.02) =   0.019%
          HB3   LYS+ 111 - HN    ASP- 105  14.00 +/- 2.28   0.102% *  0.2017% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.26 +/- 1.46   0.017% *  0.3531% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  18.56 +/- 1.43   0.015% *  0.2161% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.26 +/- 0.80   0.008% *  0.2723% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.237, support = 5.8, residual support = 33.7:
          HB2   LEU  104 - HN    ASP- 105   2.44 +/- 0.26  78.474% * 64.1587% (0.22   6.30  38.06) =  87.824%  kept
          QG2   ILE  103 - HN    ASP- 105   3.28 +/- 0.45  20.887% * 33.4064% (0.34   2.14   2.48) =  12.171%  kept
          QD2   LEU   40 - HN    ASP- 105   5.74 +/- 0.54   0.587% *  0.4452% (0.49   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    ASP- 105  10.83 +/- 2.97   0.039% *  0.4100% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  11.41 +/- 1.12   0.010% *  0.4452% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  13.61 +/- 0.85   0.003% *  0.9065% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.67 +/- 1.04   0.000% *  0.2281% (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 = 3.83, residual support = 21.5:
          HB2   ASP- 105 - HN    LYS+ 106   2.85 +/- 0.38  99.745% * 97.8288% (0.98   3.83  21.49) = 100.000%  kept
          HB2   MET   96 - HN    LYS+ 106   8.66 +/- 0.39   0.159% *  0.1607% (0.31   0.02   1.97) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106  10.28 +/- 1.04   0.071% *  0.2140% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.28 +/- 1.34   0.006% *  0.4668% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  17.00 +/- 0.86   0.003% *  0.3978% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  14.91 +/- 1.94   0.014% *  0.0803% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  19.77 +/- 0.71   0.001% *  0.4348% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  24.60 +/- 1.06   0.000% *  0.4168% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.968, support = 5.31, residual support = 129.7:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.14 +/- 0.28  71.021% * 86.4417% (0.98  10.0   5.40 136.21) =  94.316%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.75 +/- 0.31  28.693% * 12.8940% (0.76   1.0   3.83  21.49) =   5.684%  kept
          HB    ILE  103 - HN    LYS+ 106   8.09 +/- 0.32   0.247% *  0.0606% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  13.62 +/- 1.46   0.013% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  13.88 +/- 1.10   0.010% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  16.91 +/- 1.75   0.004% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  16.63 +/- 2.43   0.005% *  0.0570% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.56 +/- 1.07   0.001% *  0.0851% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.57 +/- 0.67   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.25 +/- 0.83   0.001% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.69 +/- 1.24   0.001% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  20.83 +/- 1.51   0.001% *  0.0640% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  18.28 +/- 1.13   0.002% *  0.0196% (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 = 2.66, residual support = 3.02:
          QG2   THR  118 - HN    LYS+ 106   5.19 +/- 1.43 100.000% *100.0000% (0.53   2.66   3.02) = 100.000%  kept
    Distance limit 4.58 A violated in 6 structures by 0.83 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 46.2:
          HB2   PHE   95 - HN    VAL  107   2.72 +/- 0.60 100.000% *100.0000% (1.00   2.31  46.21) = 100.000%  kept
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 60.3:
      O   HB    VAL  107 - HN    VAL  107   2.39 +/- 0.29  99.951% * 99.7350% (0.99  10.0   3.33  60.28) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107   9.29 +/- 0.96   0.036% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  12.48 +/- 1.36   0.012% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.40 +/- 0.88   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  21.19 +/- 0.97   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  24.07 +/- 1.06   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 = 5.15, residual support = 26.8:
          QB    LYS+ 106 - HN    VAL  107   3.17 +/- 0.22  97.074% * 95.3500% (0.53   5.15  26.85) =  99.993%  kept
          HB3   ASP- 105 - HN    VAL  107   6.04 +/- 0.48   2.552% *  0.1756% (0.25   0.02   0.02) =   0.005%
          HB    ILE   56 - HN    VAL  107  10.32 +/- 1.53   0.126% *  0.6502% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.66 +/- 0.92   0.083% *  0.6317% (0.90   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    VAL  107  10.09 +/- 0.65   0.115% *  0.1394% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  14.07 +/- 1.31   0.018% *  0.2896% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.08 +/- 1.10   0.010% *  0.5115% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  18.12 +/- 1.16   0.003% *  0.6904% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  16.71 +/- 0.93   0.005% *  0.3429% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.79 +/- 0.62   0.001% *  0.6982% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  16.37 +/- 1.94   0.006% *  0.1234% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.16 +/- 1.31   0.005% *  0.1568% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.51 +/- 0.80   0.002% *  0.2403% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.14, residual support = 60.3:
          QG1   VAL  107 - HN    VAL  107   3.17 +/- 0.50  99.669% * 91.2302% (0.20   4.14  60.28) =  99.994%  kept
          HG13  ILE  119 - HN    VAL  107   9.71 +/- 1.08   0.186% *  2.2072% (0.99   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HN    VAL  107  10.76 +/- 0.82   0.106% *  0.5553% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  13.85 +/- 1.20   0.022% *  1.3507% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.48 +/- 1.11   0.005% *  2.2220% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.66 +/- 1.31   0.007% *  1.0840% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  17.57 +/- 0.46   0.005% *  1.3507% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 4.71, residual support = 65.2:
      O   HB    VAL  108 - HN    VAL  108   2.81 +/- 0.45  95.528% * 99.4150% (0.95  10.0   4.71  65.16) =  99.995%  kept
          HB2   PRO   93 - HN    VAL  108   6.33 +/- 1.39   4.419% *  0.0994% (0.95   1.0   0.02   0.02) =   0.005%
          HB    ILE  119 - HN    VAL  108  12.52 +/- 0.71   0.020% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.66 +/- 1.49   0.004% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  13.13 +/- 1.52   0.019% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.74 +/- 1.83   0.008% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.69 +/- 1.44   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  22.04 +/- 0.45   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.85 +/- 1.71   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.55 +/- 1.60   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.56 +/- 2.12   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  38.31 +/- 2.85   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 19.8:
          QG2   VAL  107 - HN    VAL  108   3.39 +/- 0.17  99.840% * 92.9872% (0.28   3.64  19.82) =  99.998%  kept
          HG13  ILE  119 - HN    VAL  108  11.65 +/- 0.74   0.066% *  1.7395% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  108  12.97 +/- 0.99   0.038% *  0.8951% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  12.73 +/- 1.11   0.047% *  0.6272% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  20.22 +/- 1.00   0.002% *  1.5951% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.73 +/- 1.07   0.002% *  1.6975% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.37 +/- 1.63   0.005% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.66, residual support = 19.8:
          QG1   VAL  107 - HN    VAL  108   3.85 +/- 0.25  99.597% * 95.7591% (0.25   4.66  19.82) =  99.994%  kept
          HG    LEU   63 - HN    VAL  108  12.16 +/- 1.47   0.203% *  1.5915% (0.97   0.02   0.02) =   0.003%
          HG3   LYS+ 112 - HN    VAL  108  11.31 +/- 0.72   0.189% *  1.0002% (0.61   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    VAL  108  17.89 +/- 1.18   0.012% *  1.6491% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.43 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   2.19 +/- 0.01  99.986% * 99.6957% (0.69  10.0   4.64  27.20) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  10.00 +/- 0.97   0.013% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  15.22 +/- 0.65   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  18.01 +/- 1.08   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 = 3.72, residual support = 36.3:
      O   HB2   ASP-  76 - HN    ASP-  76   2.68 +/- 0.44  99.439% * 99.7699% (1.00  10.0   3.72  36.30) = 100.000%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.84 +/- 0.76   0.543% *  0.0724% (0.73   1.0   0.02   3.19) =   0.000%
          HB2   ASN   28 - HN    ASP-  76  13.24 +/- 0.87   0.010% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.22 +/- 1.52   0.005% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  20.60 +/- 0.56   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  18.14 +/- 0.71   0.002% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.3:
      O   HB3   ASP-  76 - HN    ASP-  76   3.14 +/- 0.35  99.225% * 97.9021% (0.28  10.0   3.75  36.30) =  99.998%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.08 +/- 0.65   0.413% *  0.1579% (0.45   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  76  10.42 +/- 2.49   0.219% *  0.2278% (0.65   1.0   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP-  76  10.56 +/- 1.07   0.096% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.91 +/- 0.93   0.017% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  15.53 +/- 1.72   0.013% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  17.23 +/- 0.73   0.004% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.21 +/- 1.50   0.005% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.66 +/- 1.19   0.004% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  18.80 +/- 0.65   0.003% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  22.06 +/- 0.95   0.001% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 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   3.08 +/- 0.12  99.989% * 99.7156% (0.69   4.97  27.20) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  14.57 +/- 1.31   0.011% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 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   3.77 +/- 0.15  99.865% * 99.6073% (0.98   4.64  27.20) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  11.57 +/- 0.62   0.135% *  0.3927% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.34:
      O   HA2   GLY  109 - HN    GLY  109   2.51 +/- 0.26  99.969% * 99.3336% (0.43  10.0   2.20   9.34) = 100.000%  kept
          HA    ALA   84 - HN    GLY  109  12.13 +/- 1.12   0.012% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    GLY  109  12.22 +/- 0.52   0.010% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.09 +/- 0.96   0.005% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.25 +/- 1.44   0.003% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  15.44 +/- 0.93   0.003% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.696, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   7.04 +/- 1.60  72.864% * 20.3763% (0.70   0.02   0.02) =  75.184%  kept
          HG12  ILE   89 - HN    GLY  109   9.46 +/- 1.61  21.640% * 21.3024% (0.73   0.02   0.02) =  23.344%  kept
          HD2   LYS+ 112 - HN    GLY  109  12.30 +/- 1.34   4.851% *  4.3683% (0.15   0.02   0.02) =   1.073%  kept
          HG2   LYS+  74 - HN    GLY  109  17.17 +/- 1.63   0.397% * 13.3882% (0.46   0.02   0.02) =   0.269%
          HG3   LYS+  99 - HN    GLY  109  22.16 +/- 0.74   0.087% * 12.4970% (0.43   0.02   0.02) =   0.055%
          HG    LEU   71 - HN    GLY  109  24.56 +/- 1.13   0.050% * 14.2794% (0.49   0.02   0.02) =   0.037%
          HG13  ILE   19 - HN    GLY  109  24.16 +/- 1.27   0.052% *  8.2844% (0.28   0.02   0.02) =   0.022%
          HB3   LEU   71 - HN    GLY  109  23.77 +/- 1.17   0.059% *  5.5041% (0.19   0.02   0.02) =   0.016%
    Distance limit 4.51 A violated in 20 structures by 1.96 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 = 7.46:
          QG1   VAL  108 - HN    GLY  109   2.49 +/- 0.34  99.981% * 98.9381% (0.65   3.09   7.46) = 100.000%  kept
          HB3   LEU   63 - HN    GLY  109  14.02 +/- 1.61   0.016% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    GLY  109  15.99 +/- 0.79   0.002% *  0.5069% (0.52   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.81 +/- 1.99   0.002% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 6.44:
      O   HA2   GLY  109 - HN    ALA  110   2.66 +/- 0.43  99.961% * 99.3336% (0.57  10.0   2.20   6.44) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.53 +/- 1.01   0.015% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  14.03 +/- 0.98   0.009% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.96 +/- 1.86   0.006% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  14.43 +/- 1.04   0.006% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  17.03 +/- 1.27   0.003% *  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 = 0.222, support = 0.748, residual support = 6.6:
          HG2   PRO   93 - HN    ALA  110   3.03 +/- 0.94  97.501% * 54.6666% (0.22   0.75   6.62) =  99.750%  kept
          HB3   PRO   52 - HN    ALA  110   7.19 +/- 1.73   1.907% *  6.4182% (0.98   0.02   0.02) =   0.229%
          QB    LYS+ 106 - HN    ALA  110   9.45 +/- 0.81   0.306% *  1.2958% (0.20   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    ALA  110  11.89 +/- 2.00   0.146% *  1.8205% (0.28   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    ALA  110  11.87 +/- 2.23   0.068% *  3.1872% (0.49   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HN    ALA  110  13.94 +/- 1.13   0.026% *  2.9356% (0.45   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    ALA  110  17.14 +/- 1.28   0.008% *  5.2431% (0.80   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    ALA  110  18.89 +/- 0.93   0.005% *  6.4182% (0.98   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    ALA  110  16.66 +/- 1.28   0.012% *  2.9356% (0.45   0.02   0.02) =   0.001%
          HB    ILE  103 - HN    ALA  110  17.73 +/- 1.13   0.007% *  3.4450% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  16.56 +/- 1.38   0.009% *  1.4578% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA  110  20.88 +/- 1.05   0.002% *  4.2358% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  22.63 +/- 1.88   0.002% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  25.83 +/- 1.09   0.001% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 1 structures by 0.05 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   2.55 +/- 0.34  99.238% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.42 +/- 1.41   0.749% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.48 +/- 1.40   0.007% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.40 +/- 1.45   0.001% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.93 +/- 1.24   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.06 +/- 1.96   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  21.64 +/- 1.71   0.000% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.50 +/- 2.00   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  20.91 +/- 1.28   0.000% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.75 +/- 2.25   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.17 +/- 1.58   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  25.34 +/- 1.50   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 314.9:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.22 +/- 0.55  66.413% * 99.3619% (1.00  10.0   7.06 315.01) =  99.973%  kept
          QB    GLU- 114 - HN    LYS+ 111   3.80 +/- 0.70  33.534% *  0.0524% (0.53   1.0   0.02   2.33) =   0.027%
          HB    ILE  119 - HN    LYS+ 111  11.50 +/- 1.10   0.049% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  22.85 +/- 1.89   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  25.33 +/- 1.92   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  21.30 +/- 2.13   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  26.51 +/- 1.46   0.000% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  24.58 +/- 1.62   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.15 +/- 1.91   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  30.10 +/- 1.72   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  25.28 +/- 1.66   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.56 +/- 1.26   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.0:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.59 +/- 0.46  99.974% * 99.4649% (0.92  10.0   5.50 315.01) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.56 +/- 0.53   0.008% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  12.79 +/- 1.88   0.014% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  17.31 +/- 1.99   0.002% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.51 +/- 1.05   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  19.49 +/- 2.32   0.001% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  19.55 +/- 2.11   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  22.67 +/- 1.33   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.14 +/- 1.53   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.07 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.54, residual support = 315.0:
          HG3   LYS+ 111 - HN    LYS+ 111   3.54 +/- 0.32  97.138% * 98.8199% (0.92   6.54 315.01) =  99.998%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.15 +/- 1.09   2.796% *  0.0647% (0.20   0.02  28.08) =   0.002%
          HG12  ILE   89 - HN    LYS+ 111  14.17 +/- 1.95   0.056% *  0.3157% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  18.98 +/- 2.27   0.006% *  0.1984% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.84 +/- 1.35   0.001% *  0.1852% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  25.78 +/- 1.35   0.001% *  0.2116% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  25.82 +/- 1.84   0.001% *  0.1228% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  24.90 +/- 1.53   0.001% *  0.0816% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.24 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.1, residual support = 2.1:
          QD1   ILE   56 - HN    LYS+ 111   5.12 +/- 2.18  97.518% * 97.4134% (0.76   2.10   2.10) =  99.977%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.00 +/- 0.97   1.504% *  1.1697% (0.97   0.02   0.02) =   0.019%
          QD2   LEU  123 - HN    LYS+ 111  15.20 +/- 0.68   0.715% *  0.4134% (0.34   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+ 111  18.05 +/- 1.95   0.223% *  0.5900% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 111  24.11 +/- 1.93   0.040% *  0.4134% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 8 structures by 1.56 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   5.74 231.85) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.92 +/- 1.54   0.004% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.40 +/- 1.18   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  29.15 +/- 2.30   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.07, residual support = 28.1:
          HB2   LYS+ 111 - HN    LYS+ 112   3.82 +/- 0.25  86.381% * 97.8542% (0.87   7.07  28.08) =  99.986%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.34 +/- 0.50  13.169% *  0.0887% (0.28   0.02   0.96) =   0.014%
          HB    ILE  119 - HN    LYS+ 112  10.95 +/- 0.63   0.182% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  11.41 +/- 0.84   0.160% *  0.0887% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.24 +/- 1.64   0.099% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.45 +/- 1.40   0.002% *  0.3191% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  26.63 +/- 1.67   0.001% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  21.94 +/- 1.50   0.003% *  0.0559% (0.18   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  27.95 +/- 0.95   0.001% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.77 +/- 1.33   0.001% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  28.07 +/- 1.04   0.001% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  29.01 +/- 0.98   0.000% *  0.1806% (0.57   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  26.86 +/- 0.99   0.001% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  33.19 +/- 1.03   0.000% *  0.1935% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.03 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   2.59 +/- 0.59  99.771% * 98.9690% (0.76  10.0   5.72 231.85) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.83 +/- 1.03   0.210% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.06 +/- 1.82   0.011% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.27 +/- 0.79   0.005% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  18.84 +/- 0.96   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  20.02 +/- 1.48   0.001% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  20.21 +/- 0.72   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  25.30 +/- 1.58   0.000% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.02 +/- 1.26   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  23.14 +/- 1.34   0.000% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.89 +/- 2.06   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  31.85 +/- 2.69   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  31.47 +/- 0.93   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.884, support = 5.71, residual support = 231.9:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.85 +/- 0.66  83.988% * 84.2820% (0.90  10.0   5.68 231.85) =  96.983%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.70 +/- 0.96  14.183% * 15.5223% (0.49   1.0   6.79 231.85) =   3.016%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.48 +/- 0.85   1.795% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   94 - HN    LYS+ 112  11.83 +/- 0.86   0.032% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.06 +/- 1.09   0.002% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  26.82 +/- 0.72   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 231.8:
          HG2   LYS+ 112 - HN    LYS+ 112   3.86 +/- 0.34  99.759% * 98.1739% (0.34   6.22 231.85) =  99.998%  kept
          QB    ALA   47 - HN    LYS+ 112  12.14 +/- 1.10   0.169% *  0.7406% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  14.13 +/- 0.87   0.051% *  0.6353% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  16.10 +/- 0.83   0.021% *  0.4502% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 6.71:
          QD1   ILE   56 - HN    LYS+ 112   5.56 +/- 1.52  98.112% * 96.8846% (0.76   1.74   6.71) =  99.984%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.17 +/- 0.83   0.652% *  1.4089% (0.97   0.02   0.02) =   0.010%
          QD2   LEU  123 - HN    LYS+ 112  14.36 +/- 0.78   1.095% *  0.4980% (0.34   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    LYS+ 112  20.28 +/- 1.38   0.121% *  0.7106% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+ 112  27.27 +/- 1.49   0.021% *  0.4980% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 12 structures by 1.67 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   3.31 +/- 0.26  99.792% * 99.2179% (0.87   5.94 231.85) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.83 +/- 0.70   0.186% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  14.18 +/- 1.36   0.020% *  0.3774% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.73 +/- 1.13   0.001% *  0.3453% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.09, residual support = 15.5:
      O   HA    LYS+ 112 - HN    ASP- 113   3.56 +/- 0.03  99.980% * 99.8622% (0.74  10.0   5.09  15.49) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.37 +/- 0.93   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.37 +/- 1.19   0.008% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  30.33 +/- 1.98   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.39, residual support = 14.2:
      O   QB    ASP- 113 - HN    ASP- 113   2.14 +/- 0.09 100.000% *100.0000% (0.82  10.0   3.39  14.18) = 100.000%  kept
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.73, residual support = 23.0:
          QG    GLU- 114 - HN    ASP- 113   4.37 +/- 0.33  99.400% * 93.2638% (0.26   2.73  23.02) =  99.994%  kept
          HG2   PRO   52 - HN    ASP- 113  14.24 +/- 1.59   0.150% *  1.6889% (0.65   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    ASP- 113  13.15 +/- 2.07   0.311% *  0.5511% (0.21   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ASP- 113  14.06 +/- 2.02   0.134% *  1.0757% (0.41   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  25.35 +/- 1.11   0.003% *  0.8294% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  35.72 +/- 0.97   0.000% *  2.0400% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  35.36 +/- 1.39   0.000% *  0.5511% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.809, support = 2.82, residual support = 6.47:
          HB2   LYS+ 111 - HN    ASP- 113   3.38 +/- 0.45  84.027% * 60.5183% (0.85   2.78   4.57) =  89.699%  kept
          QB    GLU- 114 - HN    ASP- 113   4.59 +/- 0.30  15.820% * 36.9124% (0.45   3.21  23.02) =  10.301%  kept
          HB    ILE  119 - HN    ASP- 113   9.99 +/- 0.48   0.148% *  0.1089% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  22.69 +/- 1.67   0.001% *  0.3918% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  21.11 +/- 1.80   0.002% *  0.1639% (0.32   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  26.69 +/- 1.42   0.000% *  0.4282% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  27.64 +/- 0.89   0.000% *  0.4282% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  27.17 +/- 0.70   0.000% *  0.1958% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  29.06 +/- 1.36   0.000% *  0.2298% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  27.98 +/- 1.10   0.000% *  0.1348% (0.26   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  34.04 +/- 0.84   0.000% *  0.3789% (0.74   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  28.30 +/- 1.10   0.000% *  0.1089% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.74, residual support = 15.5:
          HB2   LYS+ 112 - HN    ASP- 113   3.42 +/- 0.32  99.629% * 96.5001% (0.65   5.74  15.49) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.27 +/- 1.05   0.261% *  0.0678% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  12.36 +/- 2.04   0.078% *  0.1650% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.60 +/- 0.91   0.018% *  0.2844% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.49 +/- 0.91   0.005% *  0.4058% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  20.45 +/- 1.23   0.003% *  0.4058% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.68 +/- 0.85   0.003% *  0.3020% (0.59   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.04 +/- 1.35   0.001% *  0.3672% (0.71   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  25.76 +/- 1.32   0.001% *  0.3814% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  23.99 +/- 1.02   0.001% *  0.1807% (0.35   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.78 +/- 2.60   0.000% *  0.4058% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.00 +/- 1.84   0.001% *  0.1096% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  31.29 +/- 1.09   0.000% *  0.4243% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.11 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.724, support = 4.67, residual support = 15.5:
          HB3   LYS+ 112 - HN    ASP- 113   3.67 +/- 0.43  81.094% * 58.9308% (0.76   4.53  15.49) =  88.367%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.60 +/- 0.95  15.542% * 40.4644% (0.41   5.73  15.49) =  11.629%  kept
          QG2   VAL  107 - HN    ASP- 113   6.62 +/- 0.77   3.285% *  0.0575% (0.17   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    ASP- 113  12.39 +/- 0.85   0.073% *  0.2519% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  18.55 +/- 1.27   0.005% *  0.1761% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  26.52 +/- 0.70   0.001% *  0.1194% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.54, residual support = 23.0:
      O   HA    ASP- 113 - HN    GLU- 114   3.59 +/- 0.05  99.527% * 99.6702% (1.00  10.0   3.54  23.02) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.79 +/- 1.41   0.353% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  11.62 +/- 1.06   0.099% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  15.85 +/- 0.35   0.013% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  20.67 +/- 0.95   0.003% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.55 +/- 0.88   0.004% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.21 +/- 1.13   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 3.54, residual support = 23.0:
          QB    ASP- 113 - HN    GLU- 114   2.65 +/- 0.23  99.995% * 99.8700% (0.97   3.54  23.02) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.36 +/- 1.05   0.005% *  0.1300% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.33, residual support = 43.8:
          QG    GLU- 114 - HN    GLU- 114   2.46 +/- 0.36  99.974% * 97.6904% (0.84   4.33  43.78) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  12.49 +/- 2.22   0.021% *  0.4131% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  13.99 +/- 1.46   0.005% *  0.5298% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  23.96 +/- 0.89   0.000% *  0.4848% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.13 +/- 1.40   0.000% *  0.4131% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.79 +/- 0.98   0.000% *  0.4689% (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 = 0.843, support = 3.69, residual support = 38.7:
      O   QB    GLU- 114 - HN    GLU- 114   2.33 +/- 0.18  54.956% * 84.8500% (0.84  10.0   3.76  43.78) =  87.623%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.74 +/- 0.94  45.044% * 14.6219% (0.90   1.0   3.21   2.33) =  12.377%  kept
          HG2   PRO   68 - HN    GLU- 114  19.67 +/- 1.98   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  21.31 +/- 1.77   0.000% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  25.24 +/- 1.17   0.000% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  26.08 +/- 0.92   0.000% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  25.35 +/- 0.67   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  32.15 +/- 0.90   0.000% *  0.1016% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.07 +/- 1.47   0.000% *  0.0253% (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 = 0.923, support = 1.1, residual support = 2.33:
          HB3   LYS+ 111 - HN    GLU- 114   3.48 +/- 0.53  99.327% * 91.0719% (0.92   1.10   2.33) =  99.992%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.05 +/- 2.11   0.472% *  0.7391% (0.41   0.02   0.02) =   0.004%
          HB3   LYS+ 121 - HN    GLU- 114  11.02 +/- 0.63   0.162% *  1.7622% (0.98   0.02   0.02) =   0.003%
          QD    LYS+  66 - HN    GLU- 114  16.09 +/- 1.90   0.021% *  1.4395% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.34 +/- 0.95   0.009% *  1.7622% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  20.82 +/- 1.40   0.003% *  1.6123% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.70 +/- 0.88   0.004% *  0.6132% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  23.92 +/- 0.61   0.001% *  0.4998% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.50 +/- 1.53   0.001% *  0.4998% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.07 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.851, support = 1.69, residual support = 5.04:
          QG1   VAL  107 - HN    GLU- 114   4.55 +/- 0.45  89.259% * 43.2521% (0.84   1.67   5.54) =  88.956%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.97 +/- 0.59   8.612% * 55.5968% (0.98   1.83   0.96) =  11.032%  kept
          HG13  ILE  119 - HN    GLU- 114   9.10 +/- 1.15   2.120% *  0.2545% (0.41   0.02   0.02) =   0.012%
          QG1   VAL   24 - HN    GLU- 114  23.06 +/- 1.35   0.006% *  0.6191% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.06 +/- 1.30   0.003% *  0.2775% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.09 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.05 +/- 0.33  99.968% * 99.4046% (0.57  10.0   3.86  14.94) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.31 +/- 1.50   0.027% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  17.90 +/- 2.22   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.17 +/- 1.22   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.92 +/- 1.03   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  29.44 +/- 1.38   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   2.88 +/- 0.15  99.996% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.39 +/- 1.38   0.004% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.10 +/- 0.50   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.24 +/- 0.10  99.996% * 99.4046% (0.57  10.0   6.39  75.74) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.90 +/- 1.21   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  19.31 +/- 1.76   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  26.09 +/- 0.97   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.31 +/- 0.91   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.82 +/- 1.21   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 4.31, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   2.95 +/- 0.62  99.922% * 97.4427% (0.69   4.31  75.74) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.90 +/- 1.08   0.053% *  0.6456% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  13.96 +/- 1.50   0.020% *  0.6456% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  20.69 +/- 1.22   0.002% *  0.6230% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  18.44 +/- 1.47   0.003% *  0.1466% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.58 +/- 1.01   0.001% *  0.1831% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  26.42 +/- 2.81   0.000% *  0.1303% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  28.59 +/- 1.75   0.000% *  0.1831% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 39.8:
          HB2   LYS+  99 - HN    GLU- 100   4.43 +/- 0.13  99.802% * 99.1241% (0.73   5.60  39.76) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.82 +/- 0.63   0.181% *  0.4071% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  24.29 +/- 0.93   0.004% *  0.3724% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  20.17 +/- 1.46   0.013% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.36, residual support = 39.8:
          HG2   LYS+  99 - HN    GLU- 100   3.18 +/- 0.35  96.900% * 98.3881% (0.90   6.36  39.76) =  99.989%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.44 +/- 0.79   3.016% *  0.3329% (0.97   0.02   0.02) =   0.011%
          HB2   LEU   31 - HN    GLU- 100  11.54 +/- 1.21   0.061% *  0.1953% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  18.66 +/- 1.68   0.004% *  0.3263% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  17.83 +/- 1.10   0.004% *  0.2092% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.10 +/- 0.88   0.007% *  0.1065% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.37 +/- 0.55   0.006% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  20.09 +/- 1.16   0.002% *  0.1418% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.88 +/- 2.45   0.001% *  0.2231% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 172.0:
      O   HB2   LYS+  99 - HN    LYS+  99   2.79 +/- 0.19  99.935% * 99.7262% (0.99  10.0   4.78 172.02) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  11.40 +/- 0.60   0.025% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.12 +/- 0.71   0.029% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  18.43 +/- 1.29   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  23.02 +/- 1.12   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.07 +/- 0.92   0.005% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  16.84 +/- 0.73   0.002% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  17.35 +/- 1.09   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.82, residual support = 17.2:
          QB    LEU   98 - HN    LYS+  99   2.96 +/- 0.14  96.769% * 93.5175% (0.57   3.82  17.15) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  12.29 +/- 2.51   0.056% *  0.7504% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   6.02 +/- 1.07   2.690% *  0.0088% (0.01   0.02   6.97) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.33 +/- 0.82   0.247% *  0.0510% (0.06   0.02  15.05) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.88 +/- 1.25   0.017% *  0.3879% (0.45   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  15.97 +/- 1.95   0.005% *  0.7759% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.25 +/- 0.87   0.068% *  0.0455% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.36 +/- 0.72   0.033% *  0.0549% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.51 +/- 0.86   0.034% *  0.0475% (0.05   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.05 +/- 0.79   0.003% *  0.5247% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.27 +/- 1.05   0.041% *  0.0322% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  19.12 +/- 1.24   0.002% *  0.8349% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.67 +/- 1.31   0.002% *  0.7226% (0.84   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  14.42 +/- 1.14   0.009% *  0.1335% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.62 +/- 0.52   0.002% *  0.7226% (0.84   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  19.26 +/- 1.50   0.002% *  0.6927% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.52 +/- 1.44   0.004% *  0.2405% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.55 +/- 2.13   0.001% *  0.2670% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  15.94 +/- 1.11   0.004% *  0.0345% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  15.96 +/- 1.50   0.005% *  0.0255% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.20 +/- 2.06   0.005% *  0.0175% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  23.77 +/- 2.82   0.001% *  0.0493% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.81 +/- 0.80   0.000% *  0.0475% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.04 +/- 0.89   0.001% *  0.0158% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.766, support = 3.26, residual support = 17.0:
          QD2   LEU  104 - HN    LYS+  99   3.54 +/- 1.02  69.584% * 46.3234% (0.80   2.96  17.00) =  69.716%  kept
          QD1   LEU   98 - HN    LYS+  99   4.51 +/- 0.28  26.345% * 53.1471% (0.69   3.95  17.15) =  30.283%  kept
          QD1   ILE   19 - HN    GLN   30   6.44 +/- 0.52   3.727% *  0.0166% (0.04   0.02  15.05) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  13.83 +/- 0.86   0.030% *  0.2531% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.12 +/- 0.74   0.025% *  0.0871% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.96 +/- 0.95   0.118% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.44 +/- 1.06   0.007% *  0.1208% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  10.93 +/- 0.92   0.134% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  16.21 +/- 1.44   0.009% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.67 +/- 1.08   0.023% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.05 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.854, support = 3.97, residual support = 16.8:
          QD1   LEU  104 - HN    LYS+  99   3.27 +/- 0.85  68.003% * 93.9793% (0.87   4.00  17.00) =  98.345%  kept
          QD1   LEU   73 - HN    GLN   30   4.02 +/- 0.64  30.944% *  3.4731% (0.06   2.25   6.97) =   1.654%  kept
          QD1   LEU   63 - HN    LYS+  99  11.47 +/- 0.88   0.044% *  0.4699% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN   30   7.92 +/- 1.22   0.578% *  0.0353% (0.07   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LYS+  99  12.17 +/- 1.12   0.039% *  0.4699% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  99  10.40 +/- 0.83   0.074% *  0.1506% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.35 +/- 0.60   0.272% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  16.09 +/- 1.40   0.006% *  0.5369% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  16.81 +/- 1.28   0.006% *  0.5405% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  14.25 +/- 1.45   0.013% *  0.2227% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.31 +/- 0.71   0.007% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.50 +/- 1.19   0.006% *  0.0309% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.13 +/- 0.60   0.007% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  22.06 +/- 1.45   0.001% *  0.0355% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.1, residual support = 11.1:
          HB3   PHE   97 - HN    LEU   98   3.94 +/- 0.35  99.245% * 97.5864% (0.65   4.10  11.09) =  99.995%  kept
          HB2   GLU- 100 - HN    LEU   98   9.27 +/- 0.42   0.664% *  0.6596% (0.90   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    LEU   98  14.01 +/- 0.75   0.052% *  0.3870% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  17.21 +/- 0.87   0.017% *  0.6143% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.17 +/- 1.05   0.012% *  0.5889% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  18.88 +/- 0.89   0.010% *  0.1637% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.689, support = 3.66, residual support = 26.4:
          HB    VAL   41 - HN    LEU   98   4.40 +/- 0.73  56.766% * 53.7850% (0.65   4.25  24.34) =  71.265%  kept
          HG12  ILE  103 - HN    LEU   98   4.85 +/- 0.64  34.640% * 34.8127% (0.80   2.22  31.98) =  28.148%  kept
          HB3   ASP- 105 - HN    LEU   98   7.33 +/- 0.77   2.592% *  9.3467% (0.45   1.06   5.47) =   0.566%  kept
          HB    ILE  103 - HN    LEU   98   7.06 +/- 0.35   3.076% *  0.2060% (0.53   0.02  31.98) =   0.015%
          QB    LYS+ 106 - HN    LEU   98   7.63 +/- 0.66   2.428% *  0.0775% (0.20   0.02   0.02) =   0.004%
          HG3   PRO   68 - HN    LEU   98  12.88 +/- 1.95   0.176% *  0.2217% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  12.46 +/- 0.90   0.129% *  0.1755% (0.45   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   98  16.52 +/- 1.65   0.039% *  0.3838% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  12.36 +/- 0.70   0.107% *  0.1336% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.35 +/- 0.56   0.020% *  0.0872% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  22.11 +/- 1.28   0.004% *  0.3838% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.48 +/- 1.30   0.009% *  0.1089% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  18.54 +/- 0.94   0.011% *  0.0872% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  24.10 +/- 1.01   0.002% *  0.1906% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 1 structures by 0.15 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.17, residual support = 83.4:
      O   QB    LEU   98 - HN    LEU   98   2.96 +/- 0.17  93.386% * 99.2383% (0.84  10.0   5.17  83.36) =  99.998%  kept
          HB    VAL   42 - HN    LEU   98   4.97 +/- 0.66   6.308% *  0.0208% (0.18   1.0   0.02   0.76) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  10.95 +/- 2.47   0.146% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98   9.76 +/- 1.20   0.087% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.31 +/- 1.86   0.020% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.64 +/- 0.49   0.007% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  15.70 +/- 1.31   0.005% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  13.52 +/- 0.81   0.012% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.13 +/- 0.88   0.014% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.88 +/- 1.55   0.005% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  16.00 +/- 1.04   0.005% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.13 +/- 0.88   0.004% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.38 +/- 1.84   0.001% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.29, residual support = 9.03:
          QD2   LEU   40 - HN    LEU   98   3.12 +/- 0.46  91.337% * 83.6322% (0.97   4.32   8.87) =  99.311%  kept
          QG2   ILE  103 - HN    LEU   98   5.69 +/- 0.31   3.437% * 15.1987% (0.87   0.87  31.98) =   0.679%  kept
          QD1   LEU   67 - HN    LEU   98   8.36 +/- 2.33   1.116% *  0.3798% (0.95   0.02   0.02) =   0.006%
          QD1   ILE  103 - HN    LEU   98   5.77 +/- 0.62   3.846% *  0.0794% (0.20   0.02  31.98) =   0.004%
          HB    VAL   75 - HN    LEU   98  10.50 +/- 1.04   0.093% *  0.2915% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    LEU   98   9.50 +/- 0.48   0.162% *  0.1116% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.13 +/- 0.84   0.009% *  0.3068% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.385, support = 4.68, residual support = 79.4:
          QD1   LEU   98 - HN    LEU   98   3.01 +/- 0.69  80.196% * 55.6279% (0.38   4.87  83.36) =  94.459%  kept
          QD2   LEU  104 - HN    LEU   98   5.86 +/- 0.94   5.151% * 22.2099% (0.99   0.74   9.31) =   2.422%  kept
          QG1   VAL   41 - HN    LEU   98   5.08 +/- 0.66   6.130% * 12.7047% (0.15   2.70  24.34) =   1.649%  kept
          QG1   VAL   43 - HN    LEU   98   4.65 +/- 0.38   8.429% *  8.2297% (0.28   0.97   0.43) =   1.469%  kept
          QD1   ILE   19 - HN    LEU   98  11.90 +/- 0.82   0.033% *  0.5621% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU   98  10.96 +/- 0.74   0.048% *  0.2964% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.81 +/- 1.09   0.013% *  0.3693% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.199, support = 4.47, residual support = 61.8:
          QD2   LEU   98 - HN    LEU   98   3.33 +/- 0.68  68.931% * 29.4847% (0.15   4.68  83.36) =  64.865%  kept
          QG2   VAL   41 - HN    LEU   98   4.39 +/- 0.68  17.626% * 52.5281% (0.28   4.63  24.34) =  29.549%  kept
          QD1   LEU  104 - HN    LEU   98   4.81 +/- 0.78  11.729% * 14.8216% (0.31   1.18   9.31) =   5.548%  kept
          QD2   LEU   63 - HN    LEU   98   7.34 +/- 0.90   0.892% *  0.6823% (0.84   0.02   0.02) =   0.019%
          QD1   LEU   63 - HN    LEU   98   8.14 +/- 0.88   0.507% *  0.7326% (0.90   0.02   0.02) =   0.012%
          QD1   LEU   73 - HN    LEU   98   9.65 +/- 0.96   0.238% *  0.7326% (0.90   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    LEU   98  14.07 +/- 1.31   0.029% *  0.4625% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  13.40 +/- 1.38   0.030% *  0.4298% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  13.89 +/- 1.48   0.018% *  0.1260% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 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   2.47 +/- 0.32  97.885% * 99.6886% (0.95  10.0   4.85  62.68) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.34 +/- 0.76   1.986% *  0.0554% (0.53   1.0   0.02   8.68) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.79 +/- 0.60   0.035% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.38 +/- 1.03   0.076% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.90 +/- 1.19   0.013% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  14.58 +/- 0.92   0.003% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.68 +/- 0.86   0.002% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 46.3:
          HG2   MET   96 - HN    PHE   97   3.72 +/- 0.38  99.990% * 99.8228% (0.98   5.60  46.26) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.04 +/- 2.10   0.010% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.72 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   3.22 +/- 0.46  98.759% * 99.0693% (0.34  10.0   5.20  62.68) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.29 +/- 0.87   1.180% *  0.0808% (0.28   1.0   0.02   2.45) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.56 +/- 0.59   0.037% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.96 +/- 0.88   0.007% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  17.28 +/- 0.78   0.005% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.50 +/- 1.04   0.011% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.455, support = 5.5, residual support = 48.6:
          HB2   MET   96 - HN    PHE   97   4.07 +/- 0.12  86.162% * 35.2434% (0.31   6.07  46.26) =  78.159%  kept
          HB2   ASP- 105 - HN    PHE   97   5.79 +/- 0.90  13.403% * 63.3046% (0.98   3.44  56.87) =  21.839%  kept
          HG12  ILE  119 - HN    PHE   97  11.46 +/- 1.40   0.247% *  0.1546% (0.41   0.02   0.29) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.35 +/- 0.70   0.074% *  0.2873% (0.76   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    PHE   97  16.57 +/- 1.03   0.021% *  0.3372% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  16.70 +/- 0.50   0.019% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  14.11 +/- 1.19   0.066% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.53 +/- 1.03   0.008% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.15 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   4.57 +/- 0.07  99.610% * 91.3873% (0.15   6.07  46.26) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  14.60 +/- 1.22   0.108% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.09 +/- 0.90   0.084% *  1.6915% (0.87   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    PHE   97  14.94 +/- 1.26   0.098% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.60 +/- 0.54   0.065% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.19 +/- 1.08   0.027% *  1.9114% (0.98   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   97  22.78 +/- 1.23   0.007% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  31.70 +/- 2.04   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.30 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.617, support = 1.28, residual support = 1.43:
          QG2   ILE  103 - HN    PHE   97   3.59 +/- 0.41  92.330% * 47.1492% (0.61   1.29   1.48) =  93.286%  kept
          QD2   LEU   40 - HN    PHE   97   5.98 +/- 0.53   6.251% * 49.9474% (0.76   1.08   0.73) =   6.690%  kept
          QD1   LEU   67 - HN    PHE   97   9.82 +/- 2.71   0.920% *  0.8754% (0.73   0.02   0.02) =   0.017%
          HB    VAL   75 - HN    PHE   97  10.39 +/- 0.92   0.196% *  1.1404% (0.95   0.02   0.02) =   0.005%
          QD1   ILE  119 - HN    PHE   97  11.16 +/- 1.27   0.287% *  0.3006% (0.25   0.02   0.29) =   0.002%
          HG3   LYS+  74 - HN    PHE   97  15.87 +/- 0.93   0.017% *  0.5868% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 3.99, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.67 +/- 0.38  98.713% * 95.7132% (0.24   4.00  11.99) =  99.985%  kept
          HB3   TRP   87 - HN    MET   96   8.06 +/- 1.13   1.246% *  1.0879% (0.54   0.02   0.02) =   0.014%
          HG3   GLN  116 - HN    MET   96  16.80 +/- 1.07   0.013% *  0.9353% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  19.43 +/- 0.96   0.005% *  1.8834% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.48 +/- 0.98   0.022% *  0.3803% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.04 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   2.88 +/- 0.17  99.735% * 99.6054% (0.94  10.0   4.07 115.56) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.75 +/- 0.77   0.158% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96   9.87 +/- 0.52   0.068% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  12.48 +/- 0.50   0.016% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.23 +/- 1.21   0.008% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.87 +/- 0.66   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.96 +/- 0.64   0.009% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.16 +/- 0.78   0.001% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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   2.51 +/- 0.19  99.960% * 99.5022% (0.57  10.0   3.97 115.56) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  12.27 +/- 0.59   0.009% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.92 +/- 1.13   0.011% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  10.99 +/- 1.26   0.019% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  18.59 +/- 0.94   0.001% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  21.39 +/- 1.28   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  30.52 +/- 2.10   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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   4.00 +/- 0.55  98.826% * 76.2797% (0.19   1.50  16.41) =  99.959%  kept
          HG2   PRO   93 - HN    MET   96  10.74 +/- 0.33   0.322% *  2.5016% (0.46   0.02   0.02) =   0.011%
          QB    LYS+ 102 - HN    MET   96  11.76 +/- 0.41   0.193% *  3.7319% (0.69   0.02   0.22) =   0.010%
          QB    LYS+  65 - HN    MET   96  12.87 +/- 0.44   0.114% *  4.2927% (0.79   0.02   0.02) =   0.006%
          HB2   LEU   71 - HN    MET   96  13.62 +/- 0.89   0.093% *  4.4580% (0.82   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    MET   96  12.06 +/- 0.82   0.201% *  1.2815% (0.24   0.02   0.02) =   0.003%
          HB2   LYS+  99 - HN    MET   96  11.90 +/- 0.42   0.179% *  1.4289% (0.26   0.02   0.02) =   0.003%
          HB3   GLN   17 - HN    MET   96  16.99 +/- 1.03   0.024% *  4.7442% (0.87   0.02   0.02) =   0.002%
          QD    LYS+  81 - HN    MET   96  15.15 +/- 0.89   0.049% *  1.2815% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.93 A violated in 0 structures by 0.27 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.844, support = 1.19, residual support = 1.22:
          QG2   THR   94 - HN    MET   96   4.67 +/- 0.22  95.175% * 82.3744% (0.85   1.19   1.18) =  99.261%  kept
          HG12  ILE   89 - HN    MET   96   8.33 +/- 1.11   4.500% * 12.8851% (0.21   0.75   5.67) =   0.734%  kept
          HB3   LEU   71 - HN    MET   96  13.98 +/- 0.82   0.145% *  1.4599% (0.89   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HN    MET   96  16.96 +/- 0.92   0.047% *  1.3387% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  17.83 +/- 1.32   0.038% *  1.5128% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  15.21 +/- 1.42   0.095% *  0.4291% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   3.50 +/- 0.65  98.120% * 96.6032% (0.76   2.96  16.41) =  99.987%  kept
          QG2   THR   46 - HN    MET   96   9.29 +/- 1.00   0.540% *  0.8141% (0.94   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    MET   96   8.84 +/- 0.46   0.599% *  0.4949% (0.57   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    MET   96  10.12 +/- 0.73   0.334% *  0.7874% (0.91   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    MET   96   9.98 +/- 0.79   0.346% *  0.5925% (0.69   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    MET   96  13.19 +/- 0.76   0.060% *  0.7078% (0.82   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.828, support = 1.07, residual support = 1.06:
          QD1   LEU   63 - HN    MET   96   5.69 +/- 1.00  35.917% * 55.4121% (0.85   1.16   1.07) =  73.164%  kept
          QD2   LEU   63 - HN    MET   96   6.44 +/- 1.13  18.425% * 38.7417% (0.79   0.87   1.07) =  26.240%  kept
          QD2   LEU  115 - HN    MET   96  11.00 +/- 1.23   1.386% *  3.3669% (0.54   0.11   0.02) =   0.172%
          QD2   LEU   98 - HN    MET   96   5.89 +/- 0.64  26.355% *  0.1650% (0.15   0.02   0.33) =   0.160%
          QG2   VAL   41 - HN    MET   96   6.90 +/- 0.78  12.147% *  0.2974% (0.26   0.02   0.02) =   0.133%
          QD1   LEU   73 - HN    MET   96   9.24 +/- 1.05   2.502% *  0.9592% (0.85   0.02   0.02) =   0.088%
          QD1   LEU  104 - HN    MET   96   9.16 +/- 0.65   1.780% *  0.3301% (0.29   0.02   0.02) =   0.022%
          QD2   LEU   80 - HN    MET   96  10.85 +/- 1.30   0.853% *  0.5627% (0.50   0.02   0.02) =   0.018%
          QD1   LEU   80 - HN    MET   96  11.09 +/- 1.42   0.636% *  0.1650% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.52 A violated in 6 structures by 0.76 A, kept.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.716, support = 1.47, residual support = 5.54:
          QD1   ILE   89 - HN    MET   96   5.51 +/- 1.26  79.487% * 87.2739% (0.72   1.50   5.67) =  97.554%  kept
          QG2   VAL   83 - HN    MET   96   8.09 +/- 1.41  13.785% * 12.5200% (0.46   0.34   0.02) =   2.427%  kept
          QD2   LEU   31 - HN    MET   96   9.05 +/- 0.52   6.728% *  0.2061% (0.13   0.02   0.02) =   0.019%
    Distance limit 4.38 A violated in 11 structures by 0.95 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.69 +/- 0.30 100.000% *100.0000% (0.87  10.0   3.86  73.49) = 100.000%  kept
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.19, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.48 +/- 0.39  99.955% * 99.8580% (0.98  10.0   4.19  73.49) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  13.35 +/- 1.15   0.043% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.42 +/- 1.26   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.989, support = 3.22, residual support = 46.0:
          HB    VAL  107 - HN    PHE   95   4.05 +/- 1.33  89.536% * 94.1205% (0.99   3.24  46.21) =  99.431%  kept
          HB3   PHE   45 - HN    PHE   95   6.63 +/- 0.83  10.153% *  4.7369% (0.69   0.24   1.89) =   0.567%  kept
          QE    LYS+ 112 - HN    PHE   95  13.17 +/- 1.37   0.238% *  0.4031% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  15.17 +/- 0.81   0.056% *  0.2202% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.53 +/- 0.75   0.011% *  0.4031% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.65 +/- 1.00   0.006% *  0.1161% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 2 structures by 0.19 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.812, support = 3.9, residual support = 16.4:
          QG2   THR   94 - HN    PHE   95   2.84 +/- 0.26  74.549% * 78.0071% (0.87   3.85  13.71) =  91.679%  kept
          QG2   VAL  107 - HN    PHE   95   3.87 +/- 1.06  25.288% * 20.8706% (0.20   4.51  46.21) =   8.320%  kept
          HG13  ILE  103 - HN    PHE   95   8.39 +/- 0.72   0.149% *  0.2835% (0.61   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    PHE   95  13.74 +/- 0.99   0.007% *  0.4191% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  14.78 +/- 1.22   0.005% *  0.2275% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  17.85 +/- 0.67   0.001% *  0.1921% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 25.2:
      O   HB    THR   94 - HN    THR   94   2.80 +/- 0.19  99.795% * 98.9931% (0.65  10.0   3.08  25.23) = 100.000%  kept
          QB    SER   48 - HN    THR   94  10.59 +/- 0.96   0.046% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    THR   94   9.42 +/- 1.02   0.085% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  12.58 +/- 0.47   0.013% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.93 +/- 0.85   0.012% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  11.49 +/- 0.69   0.023% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  12.37 +/- 0.78   0.016% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  15.87 +/- 0.81   0.004% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  16.75 +/- 0.90   0.003% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  16.62 +/- 0.88   0.003% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  22.04 +/- 1.33   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  22.61 +/- 0.62   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   3.05 +/- 0.77  99.863% * 98.8926% (0.95   2.96  27.13) =  99.999%  kept
          QE    LYS+ 111 - HN    THR   94  11.81 +/- 0.72   0.124% *  0.7071% (1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HN    THR   94  15.61 +/- 1.24   0.013% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.06 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.557, support = 1.49, residual support = 26.5:
          HB3   PHE   45 - HN    THR   94   3.98 +/- 0.67  91.358% * 72.8326% (0.57   1.50  27.13) =  97.645%  kept
          HB    VAL  107 - HN    THR   94   6.62 +/- 1.11   7.638% * 20.9089% (0.20   1.23   0.02) =   2.344%  kept
          HG3   MET   96 - HN    THR   94   9.86 +/- 0.60   0.568% *  0.4769% (0.28   0.02   1.18) =   0.004%
          HB3   ASP-  62 - HN    THR   94  11.97 +/- 0.64   0.167% *  1.1782% (0.69   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    THR   94  12.57 +/- 1.59   0.191% *  0.9711% (0.57   0.02   0.02) =   0.003%
          HB3   ASP-  86 - HN    THR   94  13.63 +/- 0.58   0.073% *  1.7001% (0.99   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HN    THR   94  23.22 +/- 0.86   0.003% *  1.7001% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  26.24 +/- 1.36   0.002% *  0.2321% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.72 +/- 0.13  94.230% * 99.5171% (0.98  10.0   4.39  15.61) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   7.14 +/- 1.19   4.828% *  0.0697% (0.69   1.0   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94   9.35 +/- 1.65   0.702% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.96 +/- 0.85   0.060% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  11.85 +/- 0.96   0.109% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  13.35 +/- 1.03   0.052% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  17.65 +/- 0.96   0.009% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.47 +/- 1.43   0.007% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.71 +/- 0.44   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  25.43 +/- 1.92   0.001% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  34.25 +/- 2.82   0.000% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.897, support = 2.73, residual support = 15.6:
      O   HB3   PRO   93 - HN    THR   94   3.95 +/- 0.22  92.146% * 99.0772% (0.90  10.0   2.73  15.61) =  99.994%  kept
          HB3   ASP-  44 - HN    THR   94   6.65 +/- 0.45   4.640% *  0.0538% (0.49   1.0   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    THR   94   7.83 +/- 0.55   1.749% *  0.0958% (0.87   1.0   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    THR   94   9.47 +/- 1.04   0.643% *  0.0415% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    THR   94  10.64 +/- 0.83   0.278% *  0.0958% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.88 +/- 0.63   0.137% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.28 +/- 1.29   0.092% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  12.98 +/- 0.56   0.078% *  0.0844% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.47 +/- 1.59   0.123% *  0.0307% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  14.96 +/- 1.48   0.049% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  14.91 +/- 1.38   0.040% *  0.0625% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  19.48 +/- 0.80   0.007% *  0.0715% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  19.99 +/- 1.17   0.006% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  22.18 +/- 0.86   0.003% *  0.0538% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  18.96 +/- 0.64   0.008% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  25.74 +/- 2.05   0.001% *  0.0193% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.348, support = 3.47, residual support = 24.9:
          QG2   THR   94 - HN    THR   94   3.91 +/- 0.06  96.424% * 65.5548% (0.34   3.51  25.23) =  98.416%  kept
          HG12  ILE   89 - HN    THR   94   7.46 +/- 0.97   3.236% * 31.3543% (0.76   0.75   5.50) =   1.580%  kept
          HG3   LYS+ 111 - HN    THR   94  11.37 +/- 1.20   0.194% *  0.9138% (0.84   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HN    THR   94  14.02 +/- 1.28   0.055% *  0.7945% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.39 +/- 1.29   0.079% *  0.3377% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  19.21 +/- 0.63   0.007% *  0.8761% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  20.07 +/- 0.89   0.005% *  0.1688% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   4.17 +/- 0.49  99.265% * 99.1801% (0.90   0.75   5.50) =  99.994%  kept
          QG1   VAL   83 - HN    THR   94  11.12 +/- 1.31   0.735% *  0.8199% (0.28   0.02   0.02) =   0.006%
    Distance limit 4.47 A violated in 1 structures by 0.12 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.153, support = 3.67, residual support = 60.7:
          HG3   MET   92 - HN    MET   92   3.67 +/- 0.39  97.458% * 45.6582% (0.14   3.74  62.18) =  97.567%  kept
          QG    GLN   90 - HN    MET   92   7.15 +/- 0.47   2.477% * 44.7564% (0.87   0.57   0.02) =   2.430%  kept
          HB2   ASP-  44 - HN    MET   92  14.04 +/- 0.82   0.039% *  1.7666% (0.98   0.02   0.02) =   0.002%
          HG12  ILE  119 - HN    MET   92  15.78 +/- 1.18   0.020% *  0.9482% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    MET   92  20.01 +/- 0.97   0.005% *  1.6637% (0.92   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  27.39 +/- 1.39   0.001% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  27.94 +/- 1.77   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  26.50 +/- 1.20   0.001% *  0.3567% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  35.62 +/- 2.29   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 62.2:
      O   HB2   MET   92 - HN    MET   92   3.06 +/- 0.63  98.400% * 99.5386% (1.00  10.0   3.65  62.18) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   6.74 +/- 0.38   1.331% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  10.31 +/- 1.35   0.147% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.54 +/- 1.25   0.067% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.86 +/- 0.58   0.042% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  15.98 +/- 1.72   0.010% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  22.98 +/- 0.91   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  30.66 +/- 0.65   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  25.15 +/- 0.79   0.001% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  31.35 +/- 1.37   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  40.05 +/- 2.96   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.0, residual support = 62.2:
      O   HB3   MET   92 - HN    MET   92   3.76 +/- 0.36  93.021% * 99.1115% (0.57  10.0   4.00  62.18) =  99.997%  kept
          HG3   PRO   93 - HN    MET   92   6.09 +/- 0.79   5.634% *  0.0346% (0.20   1.0   0.02   1.67) =   0.002%
          QG1   ILE   56 - HN    MET   92   9.48 +/- 0.68   0.408% *  0.1338% (0.76   1.0   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    MET   92   8.64 +/- 0.70   0.790% *  0.0437% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.99 +/- 0.76   0.063% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.03 +/- 1.76   0.073% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  20.14 +/- 1.47   0.006% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.20 +/- 0.62   0.002% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.92 +/- 0.70   0.002% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.04 +/- 1.12   0.002% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 8.97:
          QB    ALA   91 - HN    MET   92   3.06 +/- 0.22  99.480% * 96.1644% (1.00   3.04   8.97) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   7.90 +/- 1.33   0.510% *  0.4359% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  16.81 +/- 1.52   0.004% *  0.4105% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.69 +/- 0.61   0.001% *  0.6331% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  20.77 +/- 0.59   0.001% *  0.3089% (0.49   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  19.01 +/- 0.94   0.002% *  0.1256% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  24.90 +/- 1.04   0.000% *  0.5504% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.36 +/- 1.00   0.000% *  0.4359% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  26.59 +/- 1.09   0.000% *  0.3849% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  31.40 +/- 1.08   0.000% *  0.5504% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.75:
          HA    ILE   89 - HN    ALA   91   3.49 +/- 0.42  99.495% * 96.1996% (0.61   2.49   7.75) =  99.999%  kept
          HB    THR  118 - HN    ALA   91  15.23 +/- 1.38   0.021% *  1.2057% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27   9.84 +/- 1.19   0.401% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.91 +/- 0.80   0.029% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.16 +/- 0.64   0.018% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.46 +/- 0.74   0.018% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  17.15 +/- 0.61   0.009% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  25.80 +/- 0.79   0.001% *  0.5714% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  27.63 +/- 0.83   0.000% *  0.7731% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.59 +/- 1.48   0.005% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.08 +/- 0.73   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  31.00 +/- 1.44   0.000% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.721, support = 4.96, residual support = 32.1:
          HB2   GLN   90 - HN    ALA   91   3.92 +/- 0.62  68.910% * 95.7350% (0.73   4.97  32.35) =  99.280%  kept
          HB2   GLU-  25 - HN    TRP   27   4.95 +/- 0.11  19.444% *  2.4325% (0.02   3.75   0.31) =   0.712%  kept
          HG3   GLU-  29 - HN    TRP   27   6.15 +/- 0.51   5.659% *  0.0588% (0.11   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    TRP   27   6.41 +/- 0.61   5.330% *  0.0345% (0.07   0.02   0.02) =   0.003%
          HB3   GLU-  79 - HN    TRP   27   9.21 +/- 0.94   0.552% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  14.76 +/- 1.41   0.032% *  0.1051% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.26 +/- 0.45   0.056% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  24.82 +/- 1.07   0.001% *  0.4761% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.11 +/- 0.38   0.006% *  0.0621% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.97 +/- 0.91   0.001% *  0.2793% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  19.06 +/- 1.62   0.007% *  0.0476% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  29.43 +/- 0.90   0.000% *  0.5022% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  22.77 +/- 1.03   0.002% *  0.1051% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.60 +/- 0.83   0.001% *  0.1324% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 32.3:
          HB3   GLN   90 - HN    ALA   91   3.39 +/- 0.47  83.853% * 96.1744% (0.99   4.97  32.35) =  99.990%  kept
          HB2   MET   92 - HN    ALA   91   5.64 +/- 0.91   6.183% *  0.0603% (0.15   0.02   8.97) =   0.005%
          HB3   PRO   52 - HN    ALA   91   9.89 +/- 2.00   1.476% *  0.0974% (0.25   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    TRP   27   5.46 +/- 0.80   7.614% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91   9.63 +/- 1.22   0.235% *  0.3771% (0.97   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  10.37 +/- 1.34   0.157% *  0.3696% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    TRP   27   9.03 +/- 0.55   0.328% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.95 +/- 1.17   0.036% *  0.2212% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.04 +/- 1.83   0.018% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  16.85 +/- 1.75   0.009% *  0.3696% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  16.89 +/- 1.48   0.007% *  0.3830% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.95 +/- 0.56   0.057% *  0.0466% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  23.20 +/- 0.80   0.001% *  0.3907% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  17.35 +/- 0.92   0.006% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  25.37 +/- 1.51   0.001% *  0.3607% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.83 +/- 1.13   0.002% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.19 +/- 2.16   0.004% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.77 +/- 1.36   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.40 +/- 1.28   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  21.58 +/- 1.11   0.001% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.41 +/- 0.41   0.003% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  22.50 +/- 0.75   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  28.54 +/- 0.99   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  26.02 +/- 1.74   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  23.63 +/- 1.37   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  22.20 +/- 1.10   0.001% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.95 +/- 1.57   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  28.01 +/- 1.45   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.9:
      O   QB    ALA   91 - HN    ALA   91   2.32 +/- 0.19  99.254% * 99.2924% (0.92  10.0   3.08  12.89) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.63 +/- 0.43   0.673% *  0.0055% (0.05   1.0   0.02   1.57) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.12 +/- 1.28   0.020% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.56 +/- 0.39   0.024% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.72 +/- 0.44   0.012% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  16.57 +/- 1.66   0.001% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.43 +/- 0.80   0.008% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.62 +/- 0.98   0.003% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.91 +/- 0.65   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  17.52 +/- 0.99   0.001% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.49 +/- 0.92   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  14.12 +/- 1.42   0.003% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  23.81 +/- 1.11   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  18.10 +/- 0.52   0.000% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  18.95 +/- 1.75   0.000% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.27 +/- 0.68   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.60 +/- 1.49   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.15 +/- 1.54   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  25.29 +/- 1.02   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  20.81 +/- 0.91   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 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.4:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.991% * 99.2019% (0.18  10.0   5.16 159.43) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.46 +/- 1.37   0.008% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.08 +/- 1.52   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.12, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.27 +/- 0.16  99.868% * 99.3899% (0.61  10.0   3.12  12.50) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.99 +/- 1.69   0.104% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.71 +/- 1.81   0.016% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.14 +/- 1.17   0.003% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.85 +/- 1.70   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.88 +/- 0.96   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.64 +/- 1.65   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.40 +/- 1.87   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  25.11 +/- 1.06   0.001% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 3.12, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.00 +/- 0.62  99.993% * 99.6785% (0.28  10.0   3.12  12.50) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.74 +/- 1.55   0.006% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.31 +/- 0.44   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.782, support = 0.02, residual support = 0.02:
          QB    GLU-  15 - HN    LYS+ 102  16.68 +/- 1.85  16.229% * 13.6482% (0.95   0.02   0.02) =  21.910%  kept
          QB    GLU- 114 - HN    LYS+ 102  16.91 +/- 0.97  15.922% * 12.0512% (0.84   0.02   0.02) =  18.981%  kept
          HG2   PRO   68 - HN    LYS+ 102  17.17 +/- 2.81  17.793% *  9.9106% (0.69   0.02   0.02) =  17.443%  kept
          HB    ILE   19 - HN    LYS+ 102  17.30 +/- 1.71  12.451% * 11.0262% (0.76   0.02   0.02) =  13.580%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.37 +/- 2.29   9.551% *  8.7509% (0.61   0.02   0.02) =   8.268%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.40 +/- 1.87  18.137% *  3.5976% (0.25   0.02   0.02) =   6.454%  kept
          HB2   GLN   17 - HN    LYS+ 102  20.37 +/- 1.91   4.612% * 13.6482% (0.95   0.02   0.02) =   6.227%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.50 +/- 1.79   2.930% * 12.9393% (0.90   0.02   0.02) =   3.750%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.77 +/- 1.76   2.374% * 14.4279% (1.00   0.02   0.02) =   3.388%  kept
    Distance limit 4.39 A violated in 20 structures by 7.67 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 159.4:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.56 +/- 0.05  99.081% * 99.4444% (0.98  10.0   4.65 159.43) = 100.000%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.17 +/- 0.67   0.624% *  0.0455% (0.45   1.0   0.02  22.41) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.83 +/- 1.59   0.285% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  13.25 +/- 1.65   0.007% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.64 +/- 1.25   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  19.72 +/- 1.19   0.001% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  21.51 +/- 0.58   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  20.44 +/- 1.89   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  20.89 +/- 1.83   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.55 +/- 1.37   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 3.72, residual support = 103.5:
          HG2   LYS+ 102 - HN    LYS+ 102   3.77 +/- 0.31  50.191% * 59.5924% (0.28   4.42 159.43) =  64.424%  kept
          QB    LEU   98 - HN    LYS+ 102   3.90 +/- 0.98  49.725% * 33.2157% (0.28   2.46   2.24) =  35.575%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  14.40 +/- 2.28   0.041% *  0.5497% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.35 +/- 1.67   0.011% *  0.7420% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  17.47 +/- 2.40   0.005% *  0.9687% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  15.76 +/- 1.90   0.010% *  0.3644% (0.38   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  18.96 +/- 1.27   0.003% *  0.8707% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.77 +/- 1.41   0.004% *  0.5497% (0.57   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.07 +/- 1.40   0.002% *  0.9687% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  20.25 +/- 2.08   0.002% *  0.9623% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  20.10 +/- 1.72   0.002% *  0.7050% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.41 +/- 1.44   0.002% *  0.5108% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.521, support = 1.6, residual support = 1.24:
          QD1   LEU   98 - HN    LYS+ 102   5.46 +/- 0.77  26.878% * 67.2316% (0.18   2.77   2.24) =  54.825%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.41 +/- 0.98  64.149% * 23.0667% (0.95   0.18   0.02) =  44.894%  kept
          QG1   VAL   41 - HN    LYS+ 102   7.10 +/- 1.20   7.670% *  0.9464% (0.34   0.02   0.02) =   0.220%
          QG1   VAL   43 - HN    LYS+ 102   9.03 +/- 1.06   1.207% *  1.4598% (0.53   0.02   0.02) =   0.053%
          QD1   ILE   19 - HN    LYS+ 102  14.94 +/- 1.43   0.050% *  2.7684% (1.00   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LYS+ 102  15.88 +/- 1.26   0.034% *  2.1204% (0.76   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    LYS+ 102  18.98 +/- 1.52   0.011% *  2.4067% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.16 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.28, residual support = 39.5:
      O   HA    ILE   89 - HN    GLN   90   2.56 +/- 0.42  99.976% * 99.5753% (0.61  10.0   6.28  39.46) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.30 +/- 0.95   0.021% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  15.43 +/- 1.00   0.003% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  26.08 +/- 1.39   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  24.38 +/- 1.00   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  29.76 +/- 1.91   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.68, residual support = 90.0:
          QG    GLN   90 - HN    GLN   90   2.81 +/- 0.70  99.080% * 97.8088% (0.90   5.68  89.96) =  99.998%  kept
          HG3   MET   92 - HN    GLN   90   8.47 +/- 1.57   0.864% *  0.2330% (0.61   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    GLN   90  12.86 +/- 1.57   0.038% *  0.2790% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.09 +/- 1.21   0.005% *  0.3808% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  17.24 +/- 1.68   0.005% *  0.3209% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  16.34 +/- 1.45   0.006% *  0.0958% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  22.18 +/- 1.54   0.001% *  0.2790% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  26.01 +/- 2.10   0.000% *  0.2936% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  25.21 +/- 1.58   0.000% *  0.2330% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  33.78 +/- 2.65   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 5.58, residual support = 90.0:
      O   HB3   GLN   90 - HN    GLN   90   3.41 +/- 0.24  97.304% * 99.1031% (0.92  10.0   5.58  89.96) =  99.998%  kept
          HB2   MET   92 - HN    GLN   90   7.24 +/- 1.05   1.760% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   8.57 +/- 1.25   0.665% *  0.1036% (0.97   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    GLN   90  10.13 +/- 1.27   0.193% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  13.68 +/- 1.37   0.031% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.01 +/- 1.95   0.014% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  15.95 +/- 1.68   0.012% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  16.56 +/- 1.26   0.008% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.09 +/- 1.70   0.004% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  21.65 +/- 1.30   0.002% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  18.42 +/- 2.19   0.007% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  24.64 +/- 1.52   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.16 +/- 1.18   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.05 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.13, residual support = 39.5:
          QG2   ILE   89 - HN    GLN   90   2.39 +/- 0.68 100.000% *100.0000% (0.65   7.13  39.46) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.72, residual support = 39.5:
          QD1   ILE   89 - HN    GLN   90   4.21 +/- 0.39  96.266% * 99.5335% (0.49   5.73  39.46) =  99.993%  kept
          QG2   VAL   83 - HN    GLN   90   8.01 +/- 1.01   2.636% *  0.1781% (0.25   0.02   0.02) =   0.005%
          QG2   VAL   75 - HN    GLN   90   9.66 +/- 1.42   1.015% *  0.1781% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    GLN   90  14.10 +/- 0.84   0.083% *  0.1102% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.12 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 7.5:
      O   HA    ALA   88 - HN    ILE   89   3.09 +/- 0.27  96.970% * 99.4024% (0.99  10.0   4.13   7.50) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   5.58 +/- 0.51   2.927% *  0.0223% (0.22   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    ILE   89  10.47 +/- 0.62   0.065% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.96 +/- 2.10   0.016% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.35 +/- 1.75   0.013% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  20.60 +/- 0.78   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  19.49 +/- 1.22   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.72 +/- 0.67   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  23.26 +/- 0.61   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  22.06 +/- 0.94   0.001% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.86 +/- 1.14   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  20.86 +/- 1.13   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.32 +/- 1.68   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 6.0, residual support = 214.9:
      O   HA    ILE   89 - HN    ILE   89   2.75 +/- 0.13  99.993% * 99.5011% (0.34  10.0   6.00 214.85) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.74 +/- 0.99   0.002% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  14.89 +/- 0.93   0.004% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  24.19 +/- 0.98   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  22.80 +/- 0.99   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  29.11 +/- 1.26   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.57, residual support = 214.9:
      O   HB    ILE   89 - HN    ILE   89   2.52 +/- 0.28  99.915% * 99.6919% (0.45  10.0   5.57 214.85) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89  10.00 +/- 1.27   0.049% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89   9.95 +/- 1.03   0.036% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.99 +/- 1.84   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 214.9:
          HG12  ILE   89 - HN    ILE   89   2.20 +/- 0.61  99.742% * 97.9064% (0.76   5.73 214.85) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   6.63 +/- 0.77   0.252% *  0.1379% (0.31   0.02   7.75) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  15.86 +/- 1.38   0.002% *  0.3876% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  16.93 +/- 1.35   0.002% *  0.3069% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.95 +/- 1.84   0.000% *  0.3732% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  22.71 +/- 1.35   0.000% *  0.4007% (0.90   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  19.27 +/- 1.17   0.001% *  0.1379% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  21.48 +/- 0.97   0.000% *  0.2890% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.39 +/- 1.58   0.000% *  0.0605% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.33, residual support = 214.8:
          QG2   ILE   89 - HN    ILE   89   3.69 +/- 0.06  98.129% * 99.7856% (1.00   6.33 214.85) =  99.997%  kept
          QG1   VAL   83 - HN    ILE   89   7.47 +/- 0.76   1.854% *  0.1658% (0.53   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ILE   89  16.14 +/- 1.63   0.018% *  0.0486% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.52, residual support = 214.9:
          HG13  ILE   89 - HN    ILE   89   3.36 +/- 0.50 100.000% *100.0000% (0.90   5.52 214.85) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.3:
      O   HA    ALA   88 - HN    ALA   88   2.23 +/- 0.02  99.984% * 99.0917% (0.84  10.0   1.63  11.30) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.86 +/- 0.26   0.013% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.91 +/- 1.95   0.001% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.69 +/- 1.74   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.16 +/- 0.88   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  20.03 +/- 0.98   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.74 +/- 1.23   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  23.09 +/- 0.78   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.93 +/- 1.24   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  23.14 +/- 1.09   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.89, residual support = 11.3:
      O   QB    ALA   88 - HN    ALA   88   2.90 +/- 0.09  94.626% * 99.0688% (0.73  10.0   1.89  11.30) =  99.999%  kept
          QB    ALA   84 - HN    ALA   88   4.83 +/- 0.31   4.974% *  0.0223% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   8.22 +/- 1.56   0.310% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88  10.08 +/- 0.91   0.067% *  0.0993% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  16.05 +/- 0.90   0.004% *  0.1208% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  14.06 +/- 1.82   0.011% *  0.0322% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  15.11 +/- 0.74   0.005% *  0.0648% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  18.80 +/- 1.82   0.001% *  0.1297% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  18.84 +/- 1.08   0.001% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  22.25 +/- 1.76   0.001% *  0.1446% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  24.72 +/- 2.02   0.000% *  0.1417% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  26.28 +/- 1.32   0.000% *  0.0446% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 70.4:
      O   HB2   TRP   87 - HN    TRP   87   3.69 +/- 0.02  99.953% * 99.8429% (0.73  10.0   3.84  70.42) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.27 +/- 0.61   0.031% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  16.26 +/- 0.94   0.015% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.35 +/- 1.30   0.002% *  0.0212% (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 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.95, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.58 +/- 0.15  99.984% * 97.4856% (0.80   3.95  22.51) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  14.20 +/- 1.07   0.004% *  0.6172% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  14.31 +/- 0.73   0.004% *  0.3247% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  13.10 +/- 0.65   0.006% *  0.0952% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  19.19 +/- 1.18   0.001% *  0.6050% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  20.71 +/- 1.48   0.000% *  0.5956% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  19.84 +/- 1.72   0.001% *  0.2767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 70.4:
      O   HB3   TRP   87 - HN    TRP   87   2.98 +/- 0.16  99.994% * 99.8532% (1.00  10.0   3.71  70.42) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  15.72 +/- 1.49   0.005% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.75 +/- 1.35   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.25, residual support = 5.15:
          QB    ALA   88 - HN    TRP   87   4.44 +/- 0.08  93.885% * 96.6983% (0.53   2.25   5.16) =  99.904%  kept
          QG2   THR   77 - HN    TRP   87   7.72 +/- 1.56   5.895% *  1.4641% (0.90   0.02   0.02) =   0.095%
          QG2   THR   23 - HN    TRP   87  14.04 +/- 1.13   0.109% *  0.8589% (0.53   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    TRP   87  14.23 +/- 0.87   0.094% *  0.3634% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  20.63 +/- 1.65   0.011% *  0.2519% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  22.88 +/- 1.93   0.006% *  0.3634% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.793, support = 2.19, residual support = 18.8:
          QD1   ILE   89 - HN    TRP   87   4.17 +/- 0.20  58.707% * 80.0485% (0.76   2.48  20.47) =  85.625%  kept
          QG2   VAL   83 - HN    TRP   87   4.55 +/- 0.68  41.039% * 19.2192% (0.97   0.47   8.97) =  14.371%  kept
          QD2   LEU   31 - HN    TRP   87  10.45 +/- 0.65   0.254% *  0.7323% (0.87   0.02   1.89) =   0.003%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.534, support = 1.09, residual support = 12.5:
          QG2   VAL   83 - HE1   TRP   87   2.48 +/- 1.39  87.588% * 24.1305% (0.45   0.84   8.97) =  69.178%  kept
          QD1   ILE   89 - HE1   TRP   87   4.62 +/- 0.99  12.412% * 75.8695% (0.73   1.63  20.47) =  30.822%  kept
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.32, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.98 +/- 0.07  95.080% * 83.9920% (0.76   3.33  13.43) =  99.356%  kept
          HA    ALA   88 - HN    ASP-  86   5.09 +/- 0.12   3.987% * 12.9658% (0.69   0.57   0.02) =   0.643%  kept
          HB2   SER   82 - HN    ASP-  86   6.69 +/- 0.38   0.834% *  0.1018% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  10.05 +/- 0.43   0.069% *  0.1018% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  12.99 +/- 1.50   0.018% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.52 +/- 1.52   0.006% *  0.2957% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  17.75 +/- 1.34   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  18.05 +/- 1.11   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  23.30 +/- 0.60   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  26.40 +/- 1.57   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.15 +/- 1.03   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.7:
          HA    VAL   83 - HN    ASP-  86   2.99 +/- 0.16  99.991% * 95.3191% (0.61   2.25  10.73) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  18.31 +/- 1.34   0.002% *  1.3482% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  17.34 +/- 0.65   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  18.49 +/- 1.69   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.92 +/- 1.61   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  22.19 +/- 1.29   0.001% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 41.9:
      O   HB2   ASP-  86 - HN    ASP-  86   2.59 +/- 0.14  99.986% * 99.6258% (0.98  10.0   5.06  41.90) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.12 +/- 0.98   0.007% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.54 +/- 0.64   0.005% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.16 +/- 1.36   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.17 +/- 1.95   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  21.32 +/- 1.49   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.9:
      O   HB3   ASP-  86 - HN    ASP-  86   2.78 +/- 0.62  99.940% * 99.2823% (0.41  10.0   3.56  41.90) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.65 +/- 1.43   0.055% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.24 +/- 1.18   0.003% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  22.73 +/- 0.71   0.001% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  23.93 +/- 0.98   0.000% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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   2.16 +/- 0.06  99.009% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.97 +/- 0.22   0.698% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.80 +/- 0.10   0.271% *  0.0201% (0.15   1.0   0.02   2.96) =   0.000%
          HB    THR   94 - HN    SER   85   9.88 +/- 0.45   0.012% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  11.17 +/- 1.61   0.008% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  13.66 +/- 1.69   0.002% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.19 +/- 1.39   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  19.84 +/- 1.05   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  23.34 +/- 0.70   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.18 +/- 1.44   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  27.62 +/- 0.91   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   3.60 +/- 0.02  99.834% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  11.06 +/- 0.79   0.132% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  15.95 +/- 1.55   0.016% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  16.43 +/- 1.11   0.012% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.25 +/- 0.79   0.002% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.16 +/- 0.93   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  21.07 +/- 1.13   0.003% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.70 +/- 0.13  99.508% * 95.9098% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.92 +/- 0.73   0.470% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    SER   85  15.68 +/- 1.65   0.003% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  15.55 +/- 0.52   0.003% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  15.04 +/- 0.60   0.004% *  0.3798% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.57 +/- 1.51   0.002% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  15.59 +/- 1.37   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  15.67 +/- 1.00   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  19.23 +/- 1.23   0.001% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.26 +/- 1.18   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.00 +/- 2.17   0.001% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  21.33 +/- 1.88   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  21.84 +/- 1.47   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  22.79 +/- 1.42   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.85 +/- 1.40   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  27.49 +/- 1.21   0.000% *  0.4457% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.95, residual support = 18.3:
      O   HA    ALA   84 - HN    ALA   84   2.76 +/- 0.03  99.844% * 99.3529% (0.49  10.0   3.95  18.34) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.46 +/- 0.79   0.147% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  15.22 +/- 1.22   0.004% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.39 +/- 1.33   0.003% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  21.60 +/- 0.94   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  21.13 +/- 0.83   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  19.44 +/- 0.98   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 42.6:
          HB    VAL   83 - HN    ALA   84   3.16 +/- 0.27  99.931% * 97.8514% (0.99   5.34  42.61) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  14.19 +/- 1.33   0.017% *  0.1521% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.75 +/- 1.01   0.008% *  0.1947% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.69 +/- 1.06   0.019% *  0.0648% (0.18   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  14.59 +/- 1.53   0.016% *  0.0648% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  19.07 +/- 1.26   0.003% *  0.3571% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.22 +/- 1.76   0.004% *  0.2687% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  22.70 +/- 1.72   0.001% *  0.3668% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  22.54 +/- 0.94   0.001% *  0.3501% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.79 +/- 1.24   0.001% *  0.0923% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  22.82 +/- 1.47   0.001% *  0.0571% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  27.81 +/- 1.06   0.000% *  0.1801% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.27, residual support = 18.3:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.06  98.251% * 99.0428% (0.87  10.0   4.27  18.34) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.49 +/- 0.77   1.742% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  13.14 +/- 1.31   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  12.96 +/- 0.64   0.001% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.52 +/- 1.44   0.001% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.49 +/- 0.71   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.11 +/- 1.41   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.41 +/- 1.06   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.37 +/- 0.92   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  17.24 +/- 1.33   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  20.68 +/- 1.93   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  20.38 +/- 1.38   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  19.98 +/- 1.30   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.05 +/- 1.62   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.09 +/- 1.21   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.58 +/- 1.86   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.84, residual support = 42.0:
          QG1   VAL   83 - HN    ALA   84   4.05 +/- 0.43  79.484% * 93.4090% (0.69   5.92  42.61) =  98.632%  kept
          QD2   LEU   80 - HN    ALA   84   5.52 +/- 0.78  19.951% *  5.1517% (0.95   0.24   0.02) =   1.365%  kept
          QD1   LEU   73 - HN    ALA   84   9.79 +/- 0.94   0.475% *  0.2786% (0.61   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ALA   84  13.84 +/- 1.41   0.064% *  0.2786% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  17.86 +/- 1.36   0.013% *  0.4582% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  17.93 +/- 1.35   0.012% *  0.4239% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.36, residual support = 42.6:
          QG2   VAL   83 - HN    ALA   84   3.20 +/- 0.62  95.071% * 99.3029% (0.76   6.36  42.61) =  99.990%  kept
          QD1   ILE   89 - HN    ALA   84   6.30 +/- 0.60   3.973% *  0.1987% (0.49   0.02  12.65) =   0.008%
          QG2   VAL   43 - HN    ALA   84   7.99 +/- 0.75   0.819% *  0.0909% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84  10.35 +/- 0.76   0.137% *  0.4074% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.84 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 = 19.8:
          HB2   SER   82 - HN    VAL   83   3.28 +/- 0.14  99.693% * 97.0111% (0.75   4.10  19.84) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   9.00 +/- 0.29   0.248% *  0.2679% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  13.43 +/- 1.26   0.024% *  0.3790% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  14.40 +/- 0.67   0.015% *  0.4639% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  17.19 +/- 1.19   0.005% *  0.4691% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.21 +/- 1.07   0.005% *  0.2490% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  19.51 +/- 0.74   0.002% *  0.4244% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  17.42 +/- 1.51   0.006% *  0.1614% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  20.65 +/- 1.19   0.002% *  0.2871% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  25.22 +/- 1.57   0.001% *  0.2871% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 87.0:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.02  99.991% * 99.4506% (0.46  10.0   4.70  87.04) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.11 +/- 0.65   0.004% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.42 +/- 1.20   0.002% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  18.36 +/- 1.84   0.002% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  21.32 +/- 1.16   0.001% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  21.40 +/- 1.30   0.001% *  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 = 87.0:
      O   HB    VAL   83 - HN    VAL   83   2.44 +/- 0.49  99.986% * 99.4176% (0.75  10.0   4.77  87.04) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.37 +/- 1.48   0.005% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.51 +/- 1.64   0.001% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  19.51 +/- 1.38   0.001% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  15.99 +/- 1.39   0.003% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  18.03 +/- 1.13   0.001% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.10 +/- 1.18   0.002% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.26 +/- 1.87   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  23.92 +/- 1.21   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.12 +/- 1.29   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  29.06 +/- 1.35   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.15 +/- 1.54   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.192, support = 0.0199, residual support = 0.0199:
          HB2   LEU   80 - HN    VAL   83   3.99 +/- 0.58  99.370% *  2.8578% (0.19   0.02   0.02) =  98.235%  kept
          HB3   LEU   73 - HN    VAL   83  12.33 +/- 1.52   0.308% *  9.9416% (0.65   0.02   0.02) =   1.061%  kept
          HB3   LYS+  74 - HN    VAL   83  12.83 +/- 0.95   0.143% *  4.7118% (0.31   0.02   0.02) =   0.233%
          QB    LEU   98 - HN    VAL   83  14.67 +/- 1.37   0.064% *  7.8727% (0.52   0.02   0.02) =   0.173%
          HB    VAL   42 - HN    VAL   83  16.95 +/- 1.31   0.025% * 10.5799% (0.70   0.02   0.02) =   0.092%
          HG3   LYS+  33 - HN    VAL   83  18.75 +/- 1.38   0.017% * 11.0607% (0.73   0.02   0.02) =   0.065%
          HG3   LYS+ 106 - HN    VAL   83  17.54 +/- 1.49   0.021% *  7.4142% (0.49   0.02   0.02) =   0.055%
          HG3   LYS+  65 - HN    VAL   83  20.94 +/- 1.33   0.006% * 10.5799% (0.70   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HN    VAL   83  20.90 +/- 2.07   0.006% *  9.5730% (0.63   0.02   0.02) =   0.021%
          HB3   PRO   93 - HN    VAL   83  16.64 +/- 0.90   0.030% *  1.7684% (0.12   0.02   0.02) =   0.019%
          QB    ALA   12 - HN    VAL   83  24.63 +/- 2.00   0.003% * 10.5799% (0.70   0.02   0.02) =   0.013%
          HB2   LYS+ 112 - HN    VAL   83  26.24 +/- 1.79   0.002% *  8.7588% (0.58   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    VAL   83  24.38 +/- 2.08   0.003% *  4.3014% (0.28   0.02   0.02) =   0.005%
    Distance limit 3.75 A violated in 4 structures by 0.36 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 = 0.738, support = 5.25, residual support = 85.1:
          QG1   VAL   83 - HN    VAL   83   2.61 +/- 0.48  83.767% * 88.8590% (0.75   5.34  87.04) =  97.770%  kept
          QD2   LEU   80 - HN    VAL   83   4.09 +/- 0.72  16.018% * 10.5940% (0.31   1.53   0.02) =   2.229%  kept
          QG2   ILE   89 - HN    VAL   83   7.57 +/- 0.53   0.212% *  0.2037% (0.46   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    VAL   83  18.41 +/- 1.52   0.001% *  0.2173% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  19.53 +/- 1.52   0.001% *  0.1261% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.28, residual support = 87.0:
          QG2   VAL   83 - HN    VAL   83   3.18 +/- 0.74  98.740% * 99.3968% (0.74   5.28  87.04) =  99.996%  kept
          QD1   ILE   89 - HN    VAL   83   8.02 +/- 0.83   0.961% *  0.3704% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   31 - HN    VAL   83   9.49 +/- 0.90   0.299% *  0.2328% (0.46   0.02   0.02) =   0.001%
    Distance limit 3.96 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 = 4.02, residual support = 33.4:
      O   HB2   SER   82 - HN    SER   82   2.07 +/- 0.10  99.987% * 99.3063% (0.87  10.0   4.02  33.37) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.86 +/- 0.34   0.009% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  12.53 +/- 1.31   0.003% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.12 +/- 0.91   0.000% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  18.76 +/- 1.11   0.000% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.55 +/- 0.84   0.000% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  17.10 +/- 1.61   0.000% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  22.78 +/- 1.00   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.42 +/- 1.21   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  26.58 +/- 1.32   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.25 +/- 0.85   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.42, residual support = 33.4:
      O   HB3   SER   82 - HN    SER   82   3.12 +/- 0.12  99.941% * 99.2682% (0.69  10.0   3.42  33.37) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.14 +/- 0.24   0.050% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  17.94 +/- 1.95   0.004% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  16.94 +/- 0.79   0.004% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.48 +/- 1.25   0.001% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  22.93 +/- 0.84   0.001% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.01 +/- 0.83   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  26.86 +/- 1.35   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.51, residual support = 12.9:
          QB    LYS+  81 - HN    SER   82   3.02 +/- 0.21  99.880% * 96.3216% (0.97   4.51  12.86) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  11.03 +/- 2.42   0.094% *  0.4085% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  14.69 +/- 0.87   0.009% *  0.2328% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.43 +/- 1.06   0.005% *  0.4338% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  17.81 +/- 0.77   0.003% *  0.3838% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.40 +/- 1.25   0.005% *  0.1661% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  19.94 +/- 1.52   0.001% *  0.3040% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.24 +/- 1.50   0.001% *  0.3838% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.02 +/- 1.77   0.001% *  0.3213% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  22.79 +/- 1.15   0.001% *  0.3382% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  26.80 +/- 1.46   0.000% *  0.3213% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  27.56 +/- 1.31   0.000% *  0.2863% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  23.18 +/- 1.60   0.001% *  0.0985% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.907, support = 4.03, residual support = 16.9:
          QG1   VAL   83 - HN    SER   82   4.68 +/- 0.53  52.991% * 81.8700% (0.95   4.52  19.84) =  84.786%  kept
          QD2   LEU   80 - HN    SER   82   4.84 +/- 0.75  45.321% * 17.1725% (0.69   1.31   0.20) =  15.210%  kept
          QG2   ILE   89 - HN    SER   82   8.46 +/- 0.50   1.235% *  0.1305% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  10.40 +/- 0.95   0.415% *  0.1181% (0.31   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    SER   82  16.24 +/- 1.36   0.025% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  20.47 +/- 1.41   0.006% *  0.3432% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  20.47 +/- 1.28   0.006% *  0.2476% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.23, residual support = 101.3:
      O   QB    LYS+  81 - HN    LYS+  81   2.52 +/- 0.13  99.957% * 99.1460% (0.97  10.0   5.23 101.34) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  10.98 +/- 2.48   0.034% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  14.93 +/- 0.81   0.003% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.65 +/- 0.91   0.001% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.65 +/- 1.50   0.002% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.15 +/- 0.74   0.001% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  19.87 +/- 1.64   0.001% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.12 +/- 1.88   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.87 +/- 1.25   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.79 +/- 0.96   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  21.35 +/- 1.63   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  26.80 +/- 0.88   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.41 +/- 1.05   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 101.3:
          QG    LYS+  81 - HN    LYS+  81   2.06 +/- 0.19  99.998% * 98.7499% (0.97   4.85 101.34) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.11 +/- 1.14   0.001% *  0.1439% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  19.47 +/- 1.64   0.000% *  0.3893% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.07 +/- 0.90   0.000% *  0.3989% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  23.26 +/- 1.77   0.000% *  0.1302% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.12 +/- 1.15   0.000% *  0.0939% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  25.74 +/- 1.00   0.000% *  0.0939% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.425, support = 5.46, residual support = 32.5:
          QD2   LEU   80 - HN    LYS+  81   4.82 +/- 0.78  43.205% * 76.1619% (0.53   5.50  32.47) =  72.886%  kept
          QD1   LEU   80 - HN    LYS+  81   4.52 +/- 0.54  56.227% * 21.7668% (0.15   5.36  32.47) =  27.109%  kept
          QD1   LEU   73 - HN    LYS+  81  10.31 +/- 1.04   0.407% *  0.4720% (0.90   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LYS+  81  15.45 +/- 1.26   0.031% *  0.4720% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  16.92 +/- 1.12   0.017% *  0.4396% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LYS+  81  14.23 +/- 0.82   0.049% *  0.1463% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.25 +/- 1.04   0.051% *  0.0812% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  19.49 +/- 1.13   0.008% *  0.2979% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  20.77 +/- 1.17   0.005% *  0.1624% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.568, support = 3.14, residual support = 12.0:
          HB2   ASP-  78 - HN    GLU-  79   3.06 +/- 0.48  43.431% * 72.1110% (0.60   3.84  16.00) =  67.149%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.83 +/- 0.66  56.552% * 27.0937% (0.51   1.69   3.93) =  32.851%  kept
          QE    LYS+  65 - HN    GLU-  79  14.45 +/- 2.53   0.005% *  0.1065% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  79  12.18 +/- 0.41   0.009% *  0.0518% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.53 +/- 0.80   0.002% *  0.1574% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.48 +/- 1.56   0.001% *  0.2015% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  24.69 +/- 0.69   0.000% *  0.2781% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 4.01, residual support = 54.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.54 +/- 0.27  99.986% * 98.3341% (0.09  10.0   4.01  54.70) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  13.31 +/- 2.48   0.010% *  0.2857% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  15.50 +/- 0.78   0.002% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  17.39 +/- 1.75   0.001% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  19.82 +/- 0.91   0.001% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  24.15 +/- 1.33   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.42 +/- 0.78   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 = 3.95, residual support = 54.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.91 +/- 0.47  99.934% * 99.6469% (0.59  10.0   3.95  54.70) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  11.62 +/- 2.33   0.058% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  17.50 +/- 1.03   0.003% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  17.15 +/- 0.97   0.004% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.25 +/- 0.83   0.001% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.17 +/- 0.64   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 38.4:
      O   HB3   ASP-  78 - HN    ASP-  78   2.35 +/- 0.44  99.668% * 99.4250% (0.49  10.0   3.95  38.35) =  99.999%  kept
          QE    LYS+  74 - HN    ASP-  78   9.19 +/- 1.74   0.274% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          QB    CYS   50 - HN    ASP-  78   8.68 +/- 0.84   0.055% *  0.1971% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   PHE   72 - HN    ASP-  78  15.60 +/- 0.52   0.002% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  24.18 +/- 1.09   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.974, support = 4.98, residual support = 36.8:
      O   HB2   ASP-  78 - HN    ASP-  78   2.85 +/- 0.32  82.711% * 81.8733% (0.98  10.0   4.98  38.35) =  95.624%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.99 +/- 0.62  17.263% * 17.9532% (0.84   1.0   5.15   3.19) =   4.376%  kept
          QE    LYS+  65 - HN    ASP-  78  14.13 +/- 2.62   0.009% *  0.0232% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASP-  78  12.55 +/- 0.96   0.014% *  0.0113% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  17.31 +/- 0.75   0.002% *  0.0343% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  19.69 +/- 1.46   0.001% *  0.0439% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  24.63 +/- 0.76   0.000% *  0.0607% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 28.2:
      O   HA    THR   77 - HN    ASP-  78   3.53 +/- 0.05  99.870% * 99.9219% (0.92  10.0   4.61  28.16) = 100.000%  kept
          HB2   TRP   27 - HN    ASP-  78  12.00 +/- 0.78   0.070% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASP-  78  13.26 +/- 1.85   0.055% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  18.52 +/- 0.92   0.005% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 2.43, residual support = 3.19:
          HA    ASP-  76 - HN    ASP-  78   3.60 +/- 0.24  99.996% * 99.6435% (0.95   2.43   3.19) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  19.76 +/- 1.28   0.004% *  0.3565% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.77 +/- 0.04  99.951% * 99.8846% (0.98  10.0   4.01  37.75) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  11.66 +/- 1.54   0.026% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.40 +/- 0.90   0.023% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.961, support = 3.55, residual support = 13.8:
          HB2   ASP-  76 - HN    THR   77   4.36 +/- 0.41  77.592% * 60.1807% (1.00   3.64  11.14) =  84.175%  kept
          HB2   ASP-  78 - HN    THR   77   5.46 +/- 0.35  22.342% * 39.2929% (0.76   3.10  28.16) =  15.825%  kept
          HB2   ASN   28 - HN    THR   77  16.70 +/- 0.95   0.029% *  0.0581% (0.18   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  22.36 +/- 0.73   0.005% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  18.55 +/- 1.48   0.017% *  0.0827% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  18.28 +/- 0.82   0.016% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 11.1:
          HB3   ASP-  76 - HN    THR   77   4.19 +/- 0.32  90.705% * 95.2550% (0.57   3.64  11.14) =  99.965%  kept
          QG    GLN   90 - HN    THR   77   8.17 +/- 2.79   6.914% *  0.3155% (0.34   0.02   0.02) =   0.025%
          HG3   MET   92 - HN    THR   77  11.95 +/- 2.17   0.534% *  0.9250% (1.00   0.02   0.02) =   0.006%
          HB2   ASP-  44 - HN    THR   77   8.53 +/- 0.68   1.650% *  0.1831% (0.20   0.02   0.02) =   0.003%
          HB3   PHE   72 - HN    THR   77  13.20 +/- 1.00   0.113% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  16.14 +/- 1.11   0.032% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  17.82 +/- 0.90   0.017% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.29 +/- 1.23   0.015% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.16 +/- 1.49   0.008% *  0.2059% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  24.36 +/- 1.11   0.003% *  0.4503% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.51 +/- 1.13   0.008% *  0.1252% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.17 +/- 0.35  99.698% * 96.0791% (0.61   4.01  37.75) =  99.999%  kept
          HB3   LEU   80 - HN    THR   77   7.19 +/- 1.16   0.214% *  0.3248% (0.41   0.02   0.56) =   0.001%
          HB3   ASP-  44 - HN    THR   77   7.90 +/- 0.48   0.075% *  0.1759% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.52 +/- 1.20   0.007% *  0.7473% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  12.15 +/- 1.34   0.005% *  0.2438% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.28 +/- 1.23   0.001% *  0.4473% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  18.80 +/- 2.10   0.000% *  0.5110% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  22.52 +/- 1.03   0.000% *  0.7085% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  25.36 +/- 1.00   0.000% *  0.7624% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.87, support = 0.02, residual support = 0.432:
          QB    ALA   47 - HN    THR   77   6.19 +/- 0.95  86.153% * 35.5714% (0.90   0.02   0.47) =  91.753%  kept
          QB    ALA   64 - HN    THR   77   9.64 +/- 0.89   9.653% * 14.8861% (0.38   0.02   0.02) =   4.302%  kept
          QG1   VAL   42 - HN    THR   77  10.67 +/- 0.83   4.091% * 31.7600% (0.80   0.02   0.02) =   3.890%  kept
          HG2   LYS+ 112 - HN    THR   77  19.35 +/- 1.98   0.103% * 17.7824% (0.45   0.02   0.02) =   0.055%
    Distance limit 4.24 A violated in 18 structures by 1.76 A, eliminated.
    Peak unassigned.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 84.4:
      O   HA    VAL   75 - HN    VAL   75   2.91 +/- 0.02  99.137% * 99.8428% (0.97  10.0   5.25  84.41) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75   6.66 +/- 0.70   0.841% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.29 +/- 0.54   0.011% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  13.76 +/- 1.11   0.010% *  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 = 0.795, support = 0.498, residual support = 0.222:
          HB3   PHE   72 - HN    VAL   75   7.20 +/- 0.91   6.518% * 84.7438% (0.76   0.72   0.31) =  68.778%  kept
          HB2   ASP-  44 - HN    VAL   75   4.45 +/- 0.49  92.811% *  2.6877% (0.87   0.02   0.02) =  31.062%  kept
          QG    GLN   90 - HN    VAL   75  12.60 +/- 2.04   0.290% *  2.1284% (0.69   0.02   0.02) =   0.077%
          QG    GLU-  15 - HN    VAL   75  14.86 +/- 1.04   0.087% *  2.9310% (0.95   0.02   0.02) =   0.032%
          QG    GLU-  14 - HN    VAL   75  14.94 +/- 1.44   0.088% *  2.5881% (0.84   0.02   0.02) =   0.028%
          HG12  ILE  119 - HN    VAL   75  14.00 +/- 0.93   0.114% *  1.0569% (0.34   0.02   0.02) =   0.015%
          HG2   MET   92 - HN    VAL   75  15.79 +/- 1.43   0.073% *  0.5426% (0.18   0.02   0.02) =   0.005%
          QB    MET   11 - HN    VAL   75  22.82 +/- 1.95   0.007% *  2.7788% (0.90   0.02   0.02) =   0.003%
          HG3   GLU-  36 - HN    VAL   75  20.03 +/- 1.29   0.013% *  0.5426% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.45 A violated in 0 structures by 0.19 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.299, support = 4.02, residual support = 27.0:
          HB3   LYS+  74 - HN    VAL   75   4.28 +/- 0.22  75.426% * 37.5950% (0.20   4.53  32.58) =  81.823%  kept
          HG    LEU   73 - HN    VAL   75   6.63 +/- 1.14  11.040% * 56.2528% (0.76   1.75   2.18) =  17.920%  kept
          QB    ALA   61 - HN    VAL   75   6.86 +/- 0.83   6.020% *  0.8224% (0.98   0.02   0.02) =   0.143%
          HG    LEU   80 - HN    VAL   75   8.21 +/- 1.61   3.006% *  0.7278% (0.87   0.02   0.47) =   0.063%
          HB2   LEU   80 - HN    VAL   75   8.22 +/- 1.46   2.657% *  0.2862% (0.34   0.02   0.47) =   0.022%
          HB3   LEU   67 - HN    VAL   75  10.33 +/- 1.40   0.526% *  0.8371% (1.00   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    VAL   75  10.02 +/- 0.80   0.521% *  0.6412% (0.76   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    VAL   75  12.66 +/- 0.92   0.124% *  0.7745% (0.92   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    VAL   75  10.78 +/- 1.79   0.455% *  0.1660% (0.20   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    VAL   75  14.56 +/- 1.09   0.055% *  0.7008% (0.84   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  13.63 +/- 1.15   0.083% *  0.2333% (0.28   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.45 +/- 1.21   0.057% *  0.2333% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  19.97 +/- 1.51   0.008% *  0.5428% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  17.55 +/- 1.91   0.022% *  0.1868% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.93, residual support = 32.6:
          HG2   LYS+  74 - HN    VAL   75   3.37 +/- 0.52  99.225% * 95.4128% (0.45   5.93  32.58) =  99.996%  kept
          QG2   ILE   56 - HN    VAL   75  11.12 +/- 1.78   0.155% *  0.6227% (0.87   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.17 +/- 0.49   0.195% *  0.4931% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  10.95 +/- 0.84   0.123% *  0.4931% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75  10.90 +/- 0.68   0.160% *  0.2449% (0.34   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  12.34 +/- 0.59   0.055% *  0.6927% (0.97   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   75  13.48 +/- 0.63   0.035% *  0.6927% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.98 +/- 0.57   0.044% *  0.2951% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  20.65 +/- 0.94   0.003% *  0.7036% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  18.32 +/- 0.90   0.005% *  0.3494% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.49, residual support = 84.4:
      O   HB    VAL   75 - HN    VAL   75   2.21 +/- 0.12  97.086% * 99.7014% (0.95  10.0   4.49  84.41) =  99.998%  kept
          HG3   LYS+  74 - HN    VAL   75   4.61 +/- 0.60   2.808% *  0.0513% (0.49   1.0   0.02  32.58) =   0.001%
          QD1   LEU   67 - HN    VAL   75   7.79 +/- 1.74   0.093% *  0.0765% (0.73   1.0   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  11.26 +/- 0.77   0.006% *  0.0805% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  11.80 +/- 1.15   0.006% *  0.0263% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.35 +/- 0.92   0.002% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.459, support = 2.13, residual support = 2.0:
          QD2   LEU   73 - HN    VAL   75   4.97 +/- 1.54  47.343% * 66.3865% (0.41   2.43   2.18) =  86.575%  kept
          QG2   THR   46 - HN    VAL   75   5.54 +/- 1.08  24.079% * 10.8103% (0.69   0.24   1.66) =   7.170%  kept
          QG2   VAL   18 - HN    VAL   75   5.44 +/- 0.74  20.088% *  6.5546% (0.80   0.12   0.02) =   3.627%  kept
          QG1   VAL   43 - HN    VAL   75   6.23 +/- 0.60   7.172% * 13.1623% (0.97   0.21   0.02) =   2.600%  kept
          QG1   VAL   41 - HN    VAL   75   9.82 +/- 0.76   0.455% *  1.3242% (1.00   0.02   0.02) =   0.017%
          QD1   ILE   19 - HN    VAL   75   9.49 +/- 0.37   0.496% *  0.4527% (0.34   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    VAL   75  11.63 +/- 1.40   0.170% *  0.7514% (0.57   0.02   0.02) =   0.004%
          QD1   ILE   56 - HN    VAL   75  11.53 +/- 0.91   0.165% *  0.2626% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    VAL   75  15.36 +/- 1.13   0.031% *  0.2955% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 5.25, residual support = 84.4:
          QG1   VAL   75 - HN    VAL   75   3.50 +/- 0.09  99.945% * 99.6858% (0.92   5.25  84.41) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.78 +/- 1.37   0.055% *  0.3142% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 5.1, residual support = 84.4:
          QG2   VAL   75 - HN    VAL   75   3.02 +/- 0.30  99.476% * 99.5266% (0.49   5.10  84.41) =  99.999%  kept
          QG2   VAL   42 - HN    VAL   75   8.51 +/- 0.76   0.281% *  0.2735% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    VAL   75   9.16 +/- 1.38   0.242% *  0.1999% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.35, residual support = 185.9:
      O   HB3   LYS+  74 - HN    LYS+  74   2.56 +/- 0.31  76.865% * 95.4518% (0.71  10.0   4.34 187.65) =  98.803%  kept
          HB3   LEU   73 - HN    LYS+  74   3.33 +/- 0.49  22.473% *  3.9541% (0.11   1.0   5.36  40.10) =   1.197%  kept
          HG12  ILE   19 - HN    LYS+  74   6.41 +/- 0.47   0.362% *  0.0580% (0.43   1.0   0.02   8.51) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.29 +/- 1.00   0.045% *  0.0923% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   8.49 +/- 1.45   0.083% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   8.45 +/- 0.97   0.087% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  10.63 +/- 1.61   0.025% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.80 +/- 0.58   0.005% *  0.0830% (0.61   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74  10.21 +/- 0.71   0.022% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  10.73 +/- 1.46   0.020% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.11 +/- 0.92   0.009% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  15.57 +/- 1.92   0.003% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  18.05 +/- 1.10   0.001% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.19 +/- 2.24   0.000% *  0.0957% (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 = 5.83, residual support = 40.1:
          QD2   LEU   73 - HN    LYS+  74   3.68 +/- 0.32  99.770% * 97.2869% (0.20   5.83  40.10) =  99.999%  kept
          HG    LEU   31 - HN    LYS+  74  10.67 +/- 0.89   0.192% *  0.2104% (0.12   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  74  14.81 +/- 0.83   0.026% *  0.6320% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.03 +/- 1.36   0.005% *  1.1906% (0.70   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  18.52 +/- 1.32   0.007% *  0.6801% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.08 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.54, residual support = 40.1:
          HB2   LEU   73 - HN    LYS+  74   2.62 +/- 0.55  99.978% * 97.8987% (0.64   5.54  40.10) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  15.04 +/- 0.97   0.006% *  0.2232% (0.40   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  17.00 +/- 0.95   0.003% *  0.3935% (0.71   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  16.72 +/- 1.63   0.003% *  0.3908% (0.70   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  18.85 +/- 1.13   0.002% *  0.3014% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.31 +/- 0.55   0.003% *  0.1768% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  18.42 +/- 0.68   0.002% *  0.1345% (0.24   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.26 +/- 1.07   0.002% *  0.0780% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.95 +/- 1.36   0.001% *  0.1480% (0.27   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  25.54 +/- 0.91   0.000% *  0.2551% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 0.02:
          HB    VAL   41 - HN    LYS+  74  10.97 +/- 0.83  25.473% * 15.4986% (0.71   0.02   0.02) =  40.488%  kept
          QB    LYS+  65 - HN    LYS+  74  10.46 +/- 0.94  33.707% *  6.3858% (0.29   0.02   0.02) =  22.074%  kept
          HB2   LEU   71 - HN    LYS+  74  10.92 +/- 0.36  25.261% *  5.8297% (0.27   0.02   0.02) =  15.102%  kept
          QB    LYS+  66 - HN    LYS+  74  12.77 +/- 0.73   9.752% * 14.9905% (0.68   0.02   0.02) =  14.992%  kept
          HG12  ILE  103 - HN    LYS+  74  15.92 +/- 0.77   2.631% * 14.6936% (0.67   0.02   0.02) =   3.964%  kept
          HG2   PRO   93 - HN    LYS+  74  18.56 +/- 0.61   1.038% * 11.8708% (0.54   0.02   0.02) =   1.264%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.34 +/- 0.75   1.121% *  8.1723% (0.37   0.02   0.02) =   0.939%  kept
          HB3   PRO   52 - HN    LYS+  74  21.05 +/- 1.42   0.537% * 11.2793% (0.51   0.02   0.02) =   0.621%  kept
          HG    LEU  123 - HN    LYS+  74  21.40 +/- 1.60   0.481% * 11.2793% (0.51   0.02   0.02) =   0.556%  kept
    Distance limit 4.45 A violated in 20 structures by 4.15 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.3, residual support = 44.0:
          HB3   PHE   72 - HN    LEU   73   3.08 +/- 0.79  97.758% * 97.6273% (0.76   5.30  43.99) =  99.990%  kept
          HB2   ASP-  44 - HN    LEU   73   7.94 +/- 0.90   1.994% *  0.4180% (0.87   0.02   0.02) =   0.009%
          QG    GLU-  15 - HN    LEU   73  10.62 +/- 1.18   0.133% *  0.4558% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  11.75 +/- 1.43   0.066% *  0.4025% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  16.10 +/- 1.53   0.011% *  0.3310% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  14.09 +/- 1.38   0.020% *  0.0844% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  16.45 +/- 0.93   0.010% *  0.1644% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  19.63 +/- 1.87   0.004% *  0.4322% (0.90   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  20.57 +/- 1.67   0.003% *  0.0844% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.13, residual support = 172.9:
      O   HB2   LEU   73 - HN    LEU   73   3.39 +/- 0.42  99.828% * 99.3783% (0.99  10.0   6.13 172.94) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  14.54 +/- 1.92   0.042% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  13.48 +/- 1.04   0.036% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  15.71 +/- 1.06   0.012% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.31 +/- 0.60   0.032% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  15.43 +/- 1.14   0.017% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  19.29 +/- 1.11   0.004% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  14.32 +/- 0.88   0.020% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  18.89 +/- 0.92   0.004% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  20.33 +/- 1.41   0.003% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  24.87 +/- 1.37   0.001% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.411, support = 6.46, residual support = 172.9:
      O   HB3   LEU   73 - HN    LEU   73   2.95 +/- 0.42  91.436% * 98.2188% (0.41  10.0   6.46 172.94) =  99.992%  kept
          HG12  ILE   19 - HN    LEU   73   5.42 +/- 1.38   6.514% *  0.0664% (0.28   1.0   0.02   4.43) =   0.005%
          HB3   LYS+  74 - HN    LEU   73   6.83 +/- 0.34   0.788% *  0.2072% (0.87   1.0   0.02  40.10) =   0.002%
          HB    VAL   42 - HN    LEU   73   7.39 +/- 0.90   0.721% *  0.1163% (0.49   1.0   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LEU   73   9.16 +/- 0.73   0.134% *  0.2384% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73   8.97 +/- 1.26   0.198% *  0.1353% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  10.68 +/- 0.95   0.054% *  0.1641% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  10.00 +/- 1.38   0.099% *  0.0473% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.16 +/- 1.18   0.033% *  0.1163% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  15.53 +/- 1.84   0.007% *  0.2205% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  17.81 +/- 2.71   0.003% *  0.1996% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  15.09 +/- 1.39   0.007% *  0.0532% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  16.86 +/- 1.41   0.003% *  0.0897% (0.38   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  18.22 +/- 1.04   0.002% *  0.0532% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  24.29 +/- 1.49   0.000% *  0.0737% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 7.84, residual support = 171.8:
          QD2   LEU   73 - HN    LEU   73   2.30 +/- 0.81  87.400% * 92.2354% (0.98   7.88 172.94) =  99.352%  kept
          QG1   VAL   43 - HN    LEU   73   5.14 +/- 1.06   7.330% *  7.0930% (0.38   1.58   1.30) =   0.641%  kept
          QG1   VAL   41 - HN    LEU   73   5.52 +/- 0.83   2.667% *  0.1352% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   73   7.57 +/- 0.96   0.553% *  0.2383% (1.00   0.02   1.35) =   0.002%
          QG2   VAL   18 - HN    LEU   73   5.48 +/- 0.91   2.045% *  0.0473% (0.20   0.02   0.35) =   0.001%
          QD1   ILE   56 - HN    LEU   73  15.18 +/- 1.07   0.003% *  0.1912% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  17.44 +/- 1.71   0.001% *  0.0596% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 6.1, residual support = 172.0:
          QD1   LEU   73 - HN    LEU   73   3.21 +/- 0.76  72.079% * 97.0007% (0.57   6.13 172.94) =  99.486%  kept
          QG2   VAL   41 - HN    LEU   73   4.27 +/- 0.94  25.354% *  1.4001% (0.61   0.08   0.02) =   0.505%  kept
          QD2   LEU   98 - HN    LEU   73   6.99 +/- 0.70   1.021% *  0.2299% (0.41   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    LEU   73   8.44 +/- 1.42   0.672% *  0.2299% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   63 - HN    LEU   73   9.25 +/- 0.71   0.205% *  0.5591% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LEU   73   9.48 +/- 0.95   0.196% *  0.3165% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   8.35 +/- 1.45   0.466% *  0.1245% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  16.38 +/- 1.60   0.008% *  0.1394% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.708, support = 1.59, residual support = 1.37:
          QB    ALA   64 - HN    LEU   73   5.96 +/- 0.69  67.940% * 85.7893% (0.73   1.67   1.47) =  93.303%  kept
          QG1   VAL   42 - HN    LEU   73   6.88 +/- 0.80  31.759% * 13.1649% (0.45   0.42   0.02) =   6.693%  kept
          QB    ALA   47 - HN    LEU   73  14.97 +/- 0.73   0.284% *  0.7988% (0.57   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HN    LEU   73  23.99 +/- 2.20   0.018% *  0.2471% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 12 structures by 1.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.297, support = 0.779, residual support = 1.3:
          QG2   VAL   43 - HN    LEU   73   4.70 +/- 1.35  57.663% * 82.6800% (0.25   0.83   1.30) =  93.472%  kept
          QD2   LEU   31 - HN    LEU   73   5.15 +/- 0.82  40.665% *  7.9651% (1.00   0.02   1.35) =   6.350%  kept
          QG2   VAL   83 - HN    LEU   73   8.69 +/- 0.80   1.390% *  5.7839% (0.73   0.02   0.02) =   0.158%
          QD1   ILE   89 - HN    LEU   73  11.43 +/- 0.90   0.282% *  3.5710% (0.45   0.02   0.02) =   0.020%
    Distance limit 4.46 A violated in 0 structures by 0.11 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.532, support = 4.84, residual support = 91.0:
      O   HB2   PHE   72 - HN    PHE   72   3.29 +/- 0.35  94.399% * 80.3769% (0.53  10.0   4.87  91.85) =  98.647%  kept
          HA    ALA   64 - HN    PHE   72   5.49 +/- 0.62   5.318% * 19.5693% (0.97   1.0   2.65  30.96) =   1.353%  kept
          HB3   ASN   69 - HN    PHE   72   9.25 +/- 0.71   0.263% *  0.0236% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  13.78 +/- 0.62   0.020% *  0.0302% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.21, residual support = 91.8:
      O   HB3   PHE   72 - HN    PHE   72   3.39 +/- 0.55  98.058% * 99.3598% (0.76  10.0   5.21  91.85) =  99.998%  kept
          QG    GLU-  15 - HN    PHE   72   8.09 +/- 1.08   0.906% *  0.1230% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    PHE   72   8.38 +/- 0.66   0.620% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72   9.94 +/- 1.18   0.346% *  0.1086% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  15.02 +/- 0.98   0.020% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  13.88 +/- 1.35   0.036% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.94 +/- 1.34   0.006% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  18.82 +/- 1.48   0.005% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  22.33 +/- 1.17   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.979, support = 3.85, residual support = 18.9:
          HG    LEU   71 - HN    PHE   72   5.14 +/- 0.48  37.993% * 93.7739% (0.99   3.95  19.45) =  97.329%  kept
          QG2   THR   39 - HN    PHE   72   5.77 +/- 0.41  20.438% *  3.8613% (0.65   0.25   0.02) =   2.156%  kept
          HG13  ILE   19 - HN    PHE   72   5.33 +/- 1.10  38.544% *  0.4528% (0.95   0.02   0.02) =   0.477%
          HG2   LYS+  74 - HN    PHE   72   8.34 +/- 1.09   2.681% *  0.4776% (1.00   0.02   0.02) =   0.035%
          HG3   LYS+  99 - HN    PHE   72  13.07 +/- 0.87   0.154% *  0.4786% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    PHE   72  14.22 +/- 0.77   0.082% *  0.1796% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    PHE   72  15.20 +/- 1.43   0.066% *  0.1066% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.43 +/- 0.68   0.024% *  0.1968% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  19.00 +/- 0.79   0.015% *  0.3096% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  24.24 +/- 1.42   0.004% *  0.1633% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 4 structures by 0.62 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.936, support = 5.09, residual support = 20.0:
          QD2   LEU   71 - HN    PHE   72   3.33 +/- 0.34  63.658% * 91.2476% (0.97   5.26  19.45) =  95.623%  kept
          QD1   LEU   67 - HN    PHE   72   4.52 +/- 2.06  34.917% *  7.6101% (0.31   1.37  32.17) =   4.374%  kept
          QD2   LEU   40 - HN    PHE   72   7.34 +/- 0.84   1.051% *  0.0999% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HN    PHE   72   9.21 +/- 1.00   0.279% *  0.1891% (0.53   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    PHE   72  12.42 +/- 1.19   0.046% *  0.3469% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  12.56 +/- 0.78   0.029% *  0.3586% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.24 +/- 0.41   0.020% *  0.1478% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.22, residual support = 31.1:
          HB    VAL   70 - HN    LEU   71   4.23 +/- 0.20  95.181% * 98.9246% (0.98   6.22  31.09) =  99.988%  kept
          QG    GLN   17 - HN    LEU   71   7.80 +/- 0.90   3.055% *  0.3240% (1.00   0.02   0.02) =   0.011%
          HG2   GLU- 100 - HN    LEU   71   9.54 +/- 1.06   0.963% *  0.0723% (0.22   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    LEU   71  11.32 +/- 0.47   0.276% *  0.2101% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   71  10.34 +/- 0.54   0.492% *  0.0903% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  19.10 +/- 0.44   0.012% *  0.3219% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  17.45 +/- 0.86   0.021% *  0.0569% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.05 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.29, residual support = 139.7:
      O   HB2   LEU   71 - HN    LEU   71   2.46 +/- 0.19  99.318% * 99.5111% (0.98  10.0   6.29 139.74) = 100.000%  kept
          HB    VAL   41 - HN    LEU   71   6.12 +/- 0.65   0.568% *  0.0455% (0.45   1.0   0.02   0.97) =   0.000%
          HB3   GLN   17 - HN    LEU   71   8.75 +/- 1.15   0.070% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   71  10.48 +/- 0.63   0.020% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.33 +/- 0.63   0.012% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.81 +/- 1.05   0.006% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.61 +/- 0.55   0.006% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  21.17 +/- 0.75   0.000% *  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 = 0.962, support = 5.49, residual support = 128.1:
          HG    LEU   71 - HN    LEU   71   3.96 +/- 0.71  20.844% * 96.0919% (0.99   5.97 139.74) =  91.685%  kept
          QG2   THR   39 - HN    LEU   71   2.74 +/- 0.59  78.814% *  2.3036% (0.65   0.22   0.22) =   8.311%  kept
          HG13  ILE   19 - HN    LEU   71   8.04 +/- 1.20   0.261% *  0.3072% (0.95   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HN    LEU   71   9.69 +/- 0.88   0.039% *  0.3247% (1.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    LEU   71  12.17 +/- 1.09   0.017% *  0.3240% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  10.99 +/- 0.85   0.023% *  0.1219% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  16.85 +/- 1.45   0.002% *  0.0723% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  20.63 +/- 1.03   0.001% *  0.2101% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  19.14 +/- 0.78   0.001% *  0.1335% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  25.14 +/- 1.64   0.000% *  0.1108% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.876, support = 6.04, residual support = 109.3:
          QD1   LEU   71 - HN    LEU   71   3.13 +/- 0.86  73.549% * 45.9513% (0.84   6.06 139.74) =  71.984%  kept
          QG1   VAL   70 - HN    LEU   71   4.10 +/- 0.45  24.596% * 53.4663% (0.98   6.01  31.09) =  28.009%  kept
          QG1   VAL   18 - HN    LEU   71   6.25 +/- 1.16   1.667% *  0.1816% (1.00   0.02   0.02) =   0.006%
          HB3   LEU   63 - HN    LEU   71  10.34 +/- 1.28   0.120% *  0.1248% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   71  12.65 +/- 1.52   0.045% *  0.1517% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  13.02 +/- 0.57   0.021% *  0.0884% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  18.21 +/- 1.22   0.003% *  0.0359% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.24, residual support = 31.1:
          QG2   VAL   70 - HN    LEU   71   2.96 +/- 0.41 100.000% *100.0000% (0.73   6.24  31.09) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 81.8:
      O   HB    VAL   70 - HN    VAL   70   2.67 +/- 0.27  99.481% * 99.6297% (0.76  10.0   4.63  81.79) =  99.999%  kept
          QG    GLN   17 - HN    VAL   70   7.39 +/- 1.38   0.500% *  0.1089% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    VAL   70  13.56 +/- 0.76   0.008% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  12.74 +/- 0.43   0.010% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.43 +/- 0.44   0.000% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  20.19 +/- 1.29   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.854, support = 0.648, residual support = 1.21:
          HB3   LEU   67 - HN    VAL   70   3.30 +/- 0.70  73.968% * 36.4313% (0.87   0.64   0.02) =  95.843%  kept
          HG    LEU   40 - HN    VAL   70   6.43 +/- 0.74   2.384% * 38.4133% (0.61   0.97  36.60) =   3.257%  kept
          HG    LEU   67 - HN    VAL   70   4.54 +/- 1.04  22.720% *  0.6361% (0.49   0.02   0.02) =   0.514%  kept
          QG    LYS+  66 - HN    VAL   70   8.05 +/- 1.02   0.574% * 18.3856% (0.98   0.29   0.02) =   0.376%
          QB    ALA   61 - HN    VAL   70  11.01 +/- 0.78   0.120% *  0.9489% (0.73   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    VAL   70  10.61 +/- 1.65   0.164% *  0.5372% (0.41   0.02   0.02) =   0.003%
          HG    LEU   73 - HN    VAL   70  12.28 +/- 1.20   0.053% *  1.2952% (0.99   0.02   0.02) =   0.002%
          HG2   LYS+ 102 - HN    VAL   70  17.09 +/- 1.64   0.006% *  1.2361% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   70  16.63 +/- 1.19   0.006% *  0.7926% (0.61   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  19.21 +/- 1.59   0.003% *  0.6875% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.92 +/- 0.81   0.003% *  0.6361% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.925, support = 5.07, residual support = 80.6:
          QG1   VAL   70 - HN    VAL   70   2.32 +/- 0.44  96.504% * 54.3768% (0.92   5.10  81.79) =  97.681%  kept
          QD1   LEU   71 - HN    VAL   70   5.96 +/- 1.09   2.770% * 44.9269% (1.00   3.89  31.09) =   2.317%  kept
          QG1   VAL   18 - HN    VAL   70   6.43 +/- 1.10   0.550% *  0.1931% (0.84   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    VAL   70   9.51 +/- 1.63   0.062% *  0.2312% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.20 +/- 0.93   0.108% *  0.0789% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.93 +/- 1.13   0.006% *  0.1931% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 81.8:
          QG2   VAL   70 - HN    VAL   70   3.73 +/- 0.17 100.000% *100.0000% (0.98   4.21  81.79) = 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 = 2.98, residual support = 61.1:
      O   HB2   ASN   69 - HD22  ASN   69   4.02 +/- 0.22  98.626% * 99.7633% (0.55  10.0   2.98  61.12) = 100.000%  kept
          QE    LYS+  66 - HD22  ASN   69  11.14 +/- 2.57   1.034% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  13.38 +/- 2.74   0.330% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  21.97 +/- 1.49   0.004% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  26.09 +/- 1.53   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.15 +/- 1.54   0.004% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 3.23, residual support = 27.0:
          QG1   VAL   70 - HD22  ASN   69   4.38 +/- 1.31  72.458% * 92.1766% (0.56   3.29  27.56) =  97.972%  kept
          QD1   LEU   71 - HD22  ASN   69   7.19 +/- 2.00  22.261% *  6.0907% (0.53   0.23   0.02) =   1.989%  kept
          QD1   LEU  123 - HD22  ASN   69   9.82 +/- 2.93   3.838% *  0.5315% (0.53   0.02   0.02) =   0.030%
          QG1   VAL   18 - HD22  ASN   69   9.87 +/- 1.47   0.650% *  0.5422% (0.54   0.02   0.02) =   0.005%
          HB3   LEU   63 - HD22  ASN   69  11.10 +/- 2.31   0.540% *  0.2956% (0.30   0.02   0.02) =   0.002%
          HB3   LEU  104 - HD22  ASN   69  12.00 +/- 2.43   0.253% *  0.3634% (0.36   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.94, residual support = 2.94:
          HA    LEU   67 - HN    ASN   69   3.57 +/- 0.49 100.000% *100.0000% (0.92   2.94   2.94) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 30.6:
          HD2   PRO   68 - HN    ASN   69   2.53 +/- 0.33  99.975% * 99.1839% (0.80   5.97  30.55) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.13 +/- 0.92   0.022% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  17.79 +/- 0.86   0.001% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  16.47 +/- 0.45   0.002% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 30.6:
          HD3   PRO   68 - HN    ASN   69   3.79 +/- 0.15  99.958% * 98.4652% (0.99   5.97  30.55) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  14.96 +/- 1.05   0.031% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  20.50 +/- 1.17   0.004% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  21.68 +/- 1.18   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  22.56 +/- 0.80   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  26.62 +/- 1.48   0.001% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.598, support = 0.02, residual support = 0.02:
          QE    LYS+  66 - HN    ASN   69   8.65 +/- 1.17  27.129% * 39.8620% (0.87   0.02   0.02) =  50.901%  kept
          HA    ALA   64 - HN    ASN   69   6.94 +/- 0.86  72.571% * 14.1837% (0.31   0.02   0.02) =  48.449%  kept
          HB3   ASN   35 - HN    ASN   69  17.96 +/- 1.01   0.300% * 45.9543% (1.00   0.02   0.02) =   0.650%  kept
    Distance limit 3.82 A violated in 19 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 27.6:
          HB    VAL   70 - HN    ASN   69   4.28 +/- 0.59  94.223% * 89.1820% (0.15   3.84  27.56) =  99.957%  kept
          QG    GLN   17 - HN    ASN   69   8.25 +/- 1.47   5.628% *  0.5954% (0.20   0.02   0.02) =   0.040%
          HB2   LYS+  38 - HN    ASN   69  14.44 +/- 1.12   0.076% *  2.9818% (0.99   0.02   0.02) =   0.003%
          QB    GLU-  36 - HN    ASN   69  15.86 +/- 0.89   0.045% *  0.5269% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  22.08 +/- 1.32   0.007% *  2.4089% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  20.63 +/- 1.23   0.010% *  1.2368% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  26.84 +/- 0.97   0.002% *  1.8247% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.38 +/- 0.39   0.003% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  22.01 +/- 0.90   0.006% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 1 structures by 0.14 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.931, support = 6.04, residual support = 30.6:
      O   HB3   PRO   68 - HN    ASN   69   4.21 +/- 0.46  34.930% * 95.4467% (0.99  10.0   6.04  30.55) =  93.017%  kept
          HG2   PRO   68 - HN    ASN   69   3.74 +/- 1.06  63.618% *  3.9329% (0.14   1.0   6.04  30.55) =   6.980%  kept
          QB    GLU-  15 - HN    ASN   69   9.43 +/- 1.28   0.632% *  0.0699% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASN   69   9.31 +/- 1.27   0.571% *  0.0699% (0.73   1.0   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    ASN   69  12.96 +/- 1.52   0.082% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  14.28 +/- 1.45   0.033% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.28 +/- 1.14   0.024% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  15.39 +/- 1.15   0.022% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.90 +/- 0.80   0.065% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  16.90 +/- 1.37   0.014% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  22.15 +/- 1.86   0.003% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  20.62 +/- 1.31   0.004% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.90 +/- 0.59   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  25.17 +/- 1.15   0.001% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 30.6:
          HG3   PRO   68 - HN    ASN   69   3.82 +/- 0.39  99.692% * 92.7613% (0.38   5.49  30.55) =  99.998%  kept
          HB3   LYS+  38 - HN    ASN   69  13.67 +/- 1.11   0.062% *  0.8512% (0.95   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ASN   69  12.92 +/- 1.31   0.090% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASN   69  14.15 +/- 0.88   0.047% *  0.5458% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  15.22 +/- 1.21   0.032% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.63 +/- 1.09   0.027% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  18.93 +/- 1.64   0.010% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  16.89 +/- 1.38   0.020% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  17.40 +/- 1.22   0.014% *  0.3699% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  24.07 +/- 0.51   0.002% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  24.19 +/- 0.88   0.002% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.88 +/- 1.30   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  26.65 +/- 1.14   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.04 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 4.42, residual support = 27.4:
          QG1   VAL   70 - HN    ASN   69   3.20 +/- 0.85  91.740% * 87.6982% (0.73   4.45  27.56) =  99.376%  kept
          QD1   LEU   71 - HN    ASN   69   7.18 +/- 1.21   4.593% * 10.6877% (0.49   0.81   0.02) =   0.606%  kept
          QG1   VAL   18 - HN    ASN   69   7.80 +/- 1.27   1.548% *  0.4537% (0.84   0.02   0.02) =   0.009%
          QD1   LEU  123 - HN    ASN   69   8.55 +/- 1.61   1.449% *  0.2644% (0.49   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    ASN   69   8.78 +/- 0.94   0.619% *  0.5242% (0.97   0.02   0.02) =   0.004%
          HB3   LEU  104 - HN    ASN   69  13.21 +/- 1.52   0.046% *  0.1075% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  18.81 +/- 1.27   0.004% *  0.2644% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.997, support = 3.97, residual support = 18.1:
          HD2   PRO   68 - HN    LEU   67   4.37 +/- 0.46  81.260% * 99.0286% (1.00   3.97  18.13) =  99.969%  kept
          HA    ALA   61 - HN    LEU   67   7.22 +/- 0.33   4.511% *  0.4824% (0.97   0.02   0.02) =   0.027%
          HA    VAL   24 - HE3   TRP   27   5.96 +/- 0.20  13.912% *  0.0214% (0.04   0.02  25.68) =   0.004%
          HD3   PRO   58 - HN    LEU   67  12.99 +/- 0.49   0.135% *  0.1543% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  13.43 +/- 1.06   0.122% *  0.0606% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  16.35 +/- 1.33   0.040% *  0.0627% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  19.69 +/- 0.83   0.011% *  0.1705% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  20.36 +/- 0.75   0.009% *  0.0194% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.11 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.1, residual support = 18.1:
          HD3   PRO   68 - HN    LEU   67   3.53 +/- 0.67  99.663% * 97.2678% (0.76   4.10  18.13) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  10.70 +/- 0.72   0.253% *  0.2552% (0.41   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    LEU   67  16.92 +/- 1.11   0.017% *  0.5872% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.56 +/- 0.93   0.015% *  0.4264% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  18.73 +/- 0.67   0.008% *  0.4970% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  21.64 +/- 1.50   0.004% *  0.6084% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  16.90 +/- 0.89   0.016% *  0.0596% (0.10   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  19.19 +/- 0.96   0.006% *  0.0738% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  19.96 +/- 0.57   0.005% *  0.0625% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  18.51 +/- 1.03   0.008% *  0.0321% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  21.14 +/- 1.18   0.003% *  0.0536% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  26.06 +/- 1.19   0.001% *  0.0765% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.637, support = 1.43, residual support = 5.61:
          HA    ALA   64 - HN    LEU   67   3.38 +/- 0.28  97.154% * 23.6161% (0.65   1.15   5.14) =  91.759%  kept
          QE    LYS+  66 - HN    LEU   67   6.25 +/- 0.34   2.722% * 75.6958% (0.53   4.55  10.78) =   8.240%  kept
          HB3   ASN   35 - HE3   TRP   27  11.91 +/- 0.59   0.058% *  0.0664% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  11.95 +/- 0.84   0.060% *  0.0514% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.62 +/- 0.83   0.002% *  0.5283% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  19.13 +/- 0.76   0.003% *  0.0418% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 58.8:
      O   HB2   LEU   67 - HN    LEU   67   2.66 +/- 0.50  96.686% * 99.1951% (0.61  10.0   4.85  58.76) =  99.998%  kept
          HG2   PRO   68 - HN    LEU   67   5.90 +/- 0.76   1.524% *  0.1058% (0.65   1.0   0.02  18.13) =   0.002%
          HB    VAL   18 - HN    LEU   67   6.76 +/- 1.16   0.599% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   6.33 +/- 0.72   1.029% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.13 +/- 0.71   0.016% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  13.63 +/- 0.65   0.008% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.61 +/- 1.22   0.007% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  14.92 +/- 1.31   0.006% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.36 +/- 1.06   0.056% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.92 +/- 0.26   0.055% *  0.0041% (0.02   1.0   0.02   0.31) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  13.43 +/- 1.50   0.009% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  18.16 +/- 1.23   0.002% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.18 +/- 1.16   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  21.22 +/- 1.14   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.24 +/- 0.96   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.02 +/- 1.08   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  23.84 +/- 0.88   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  24.63 +/- 1.29   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.03 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.941, support = 4.35, residual support = 10.5:
          QB    LYS+  66 - HN    LEU   67   3.03 +/- 0.39  88.353% * 78.5959% (0.95   4.44  10.78) =  97.163%  kept
          QB    LYS+  65 - HN    LEU   67   4.63 +/- 0.28  10.546% * 19.2149% (0.76   1.34   0.02) =   2.835%  kept
          HB2   LEU   71 - HN    LEU   67   9.98 +/- 0.82   0.088% *  0.2717% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   8.91 +/- 1.02   0.250% *  0.0833% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   7.77 +/- 0.96   0.503% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  10.78 +/- 1.70   0.098% *  0.1404% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  12.48 +/- 0.85   0.024% *  0.2996% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27  10.83 +/- 1.30   0.069% *  0.0342% (0.09   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  17.20 +/- 0.82   0.003% *  0.3709% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  16.22 +/- 1.29   0.004% *  0.2421% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.45 +/- 1.25   0.003% *  0.3246% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.29 +/- 1.08   0.024% *  0.0304% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.67 +/- 1.04   0.008% *  0.0408% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  14.86 +/- 0.79   0.008% *  0.0360% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  15.96 +/- 0.62   0.005% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.33 +/- 1.00   0.001% *  0.1404% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.93 +/- 1.00   0.011% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  19.61 +/- 0.54   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  23.00 +/- 1.48   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.69 +/- 1.49   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.553, support = 4.73, residual support = 56.7:
      O   HB3   LEU   67 - HN    LEU   67   3.21 +/- 0.56  35.755% * 38.2727% (0.25  10.0   4.07  58.76) =  54.766%  kept
          HG    LEU   67 - HN    LEU   67   3.65 +/- 0.76  22.932% * 43.8898% (1.00   1.0   5.73  58.76) =  40.280%  kept
          QG    LYS+  66 - HN    LEU   67   4.28 +/- 0.39   4.958% * 15.6157% (0.41   1.0   4.95  10.78) =   3.098%  kept
          HG    LEU   73 - HE3   TRP   27   3.27 +/- 0.79  36.004% *  1.2873% (0.08   1.0   2.20  28.73) =   1.855%  kept
          QB    ALA   61 - HN    LEU   67   7.32 +/- 0.36   0.205% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   67  10.28 +/- 1.03   0.031% *  0.1521% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.62 +/- 0.83   0.038% *  0.0688% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  10.78 +/- 1.24   0.019% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.44 +/- 1.45   0.006% *  0.1521% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  13.16 +/- 1.05   0.008% *  0.0931% (0.61   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.64 +/- 1.58   0.005% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.94 +/- 1.26   0.009% *  0.0191% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  13.94 +/- 1.85   0.005% *  0.0193% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  13.13 +/- 0.67   0.006% *  0.0087% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.42 +/- 1.91   0.000% *  0.1115% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  13.12 +/- 1.33   0.008% *  0.0048% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  16.57 +/- 1.33   0.002% *  0.0140% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  12.75 +/- 1.14   0.007% *  0.0030% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  20.08 +/- 1.28   0.001% *  0.0191% (0.12   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  17.14 +/- 0.72   0.001% *  0.0079% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.08 +/- 0.83   0.000% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  21.65 +/- 1.31   0.000% *  0.0133% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.98, residual support = 58.7:
          QD1   LEU   67 - HN    LEU   67   3.78 +/- 0.51  90.797% * 92.8915% (0.31   3.98  58.76) =  99.895%  kept
          QG2   ILE  119 - HN    LEU   67   7.04 +/- 1.01   3.353% *  1.4587% (0.97   0.02   0.02) =   0.058%
          QD2   LEU   71 - HN    LEU   67   8.56 +/- 1.40   2.076% *  1.4587% (0.97   0.02   0.02) =   0.036%
          QD2   LEU   71 - HE3   TRP   27   8.22 +/- 1.44   1.522% *  0.1834% (0.12   0.02   0.02) =   0.003%
          QD2   LEU   40 - HN    LEU   67   8.84 +/- 1.02   0.654% *  0.4203% (0.28   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HN    LEU   67  11.07 +/- 1.46   0.255% *  0.7953% (0.53   0.02   0.02) =   0.002%
          QD1   ILE  103 - HE3   TRP   27  10.65 +/- 1.11   0.286% *  0.1896% (0.13   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  15.01 +/- 1.18   0.027% *  1.5082% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  10.15 +/- 0.87   0.308% *  0.1000% (0.07   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.39 +/- 1.21   0.035% *  0.6214% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  10.40 +/- 1.94   0.364% *  0.0586% (0.04   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.65 +/- 0.91   0.232% *  0.0528% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.85 +/- 0.81   0.077% *  0.0781% (0.05   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.10 +/- 1.14   0.014% *  0.1834% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.0, residual support = 25.2:
      O   HA    LYS+  65 - HN    LYS+  66   3.57 +/- 0.04  99.558% * 98.9277% (0.61  10.0   6.00  25.22) =  99.999%  kept
          HA    ALA  120 - HN    LYS+  66  10.91 +/- 1.47   0.174% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+  66  10.90 +/- 1.13   0.154% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  12.86 +/- 1.47   0.061% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  13.97 +/- 0.90   0.030% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  15.98 +/- 0.67   0.013% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  18.57 +/- 1.02   0.005% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.03 +/- 0.91   0.003% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  22.87 +/- 0.56   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 5.47:
          HA    LEU   63 - HN    LYS+  66   3.52 +/- 0.30  99.993% * 98.5945% (0.99   1.61   5.47) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  19.50 +/- 1.42   0.005% *  0.8504% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.04 +/- 0.75   0.002% *  0.5551% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.883, support = 4.15, residual support = 16.5:
          HA    ALA   64 - HN    LYS+  66   4.30 +/- 0.27  75.896% * 76.2815% (0.95   4.04   7.34) =  91.288%  kept
          QE    LYS+  66 - HN    LYS+  66   5.38 +/- 0.52  23.575% * 23.4355% (0.22   5.28 112.19) =   8.712%  kept
          HB2   PHE   72 - HN    LYS+  66  10.52 +/- 1.25   0.524% *  0.0888% (0.22   0.02   0.11) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.52 +/- 0.91   0.004% *  0.1942% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 0.685, support = 5.14, residual support = 102.7:
      O   QB    LYS+  66 - HN    LYS+  66   2.28 +/- 0.12  78.513% * 68.7142% (0.65  10.0   5.05 112.19) =  89.070%  kept
          QB    LYS+  65 - HN    LYS+  66   2.85 +/- 0.16  21.463% * 30.8442% (0.99   1.0   5.86  25.22) =  10.930%  kept
          HB3   GLN   17 - HN    LYS+  66   9.73 +/- 1.14   0.017% *  0.0559% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  11.92 +/- 0.99   0.005% *  0.1041% (0.98   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.25 +/- 0.77   0.001% *  0.0476% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  16.58 +/- 0.73   0.001% *  0.0953% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.05 +/- 1.05   0.000% *  0.1060% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  17.63 +/- 1.13   0.000% *  0.0328% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.5, support = 3.81, residual support = 63.0:
          QG    LYS+  66 - HN    LYS+  66   3.35 +/- 0.70  79.716% * 20.2901% (0.15   4.53 112.19) =  51.513%  kept
          HG    LEU   67 - HN    LYS+  66   5.23 +/- 1.24  19.835% * 76.7440% (0.87   3.05  10.78) =  48.481%  kept
          QB    ALA  120 - HN    LYS+  66  10.77 +/- 1.16   0.120% *  0.5601% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    LYS+  66  11.77 +/- 0.82   0.064% *  0.4647% (0.80   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  66  12.72 +/- 1.74   0.038% *  0.5601% (0.97   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  12.31 +/- 0.96   0.046% *  0.4435% (0.76   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.70 +/- 1.59   0.042% *  0.4435% (0.76   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  66  11.19 +/- 1.42   0.115% *  0.1148% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  14.06 +/- 0.86   0.023% *  0.1614% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.23 +/- 1.80   0.001% *  0.2178% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.18 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 7.34:
          QB    ALA   64 - HN    LYS+  66   4.52 +/- 0.14 100.000% *100.0000% (0.95   3.44   7.34) = 100.000%  kept
    Distance limit 4.43 A violated in 0 structures by 0.12 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 162.6:
      O   HA    LYS+  65 - HN    LYS+  65   2.83 +/- 0.05  99.919% * 99.3218% (0.64  10.0   6.08 162.61) = 100.000%  kept
          HA2   GLY   16 - HN    LYS+  65  11.26 +/- 1.43   0.041% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  12.68 +/- 1.16   0.016% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.44 +/- 1.12   0.007% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  14.70 +/- 0.77   0.005% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  16.74 +/- 1.18   0.003% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.82 +/- 0.59   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.01 +/- 1.09   0.002% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  21.30 +/- 0.44   0.001% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.63 +/- 0.95   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.43 +/- 0.83   0.001% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  22.93 +/- 0.68   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 = 4.73, residual support = 27.9:
      O   HA    ALA   64 - HN    LYS+  65   3.57 +/- 0.04  97.602% * 99.9016% (0.65  10.0   4.73  27.90) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   7.34 +/- 0.75   1.816% *  0.0235% (0.15   1.0   0.02  25.22) =   0.000%
          HB2   PHE   72 - HN    LYS+  65   9.59 +/- 1.19   0.580% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  21.95 +/- 0.82   0.002% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 6.59, residual support = 161.8:
      O   QB    LYS+  65 - HN    LYS+  65   2.26 +/- 0.13  97.839% * 78.1513% (0.53  10.0   6.60 162.61) =  99.420%  kept
          QB    LYS+  66 - HN    LYS+  65   4.38 +/- 0.22   2.092% * 21.3368% (0.65   1.0   4.41  25.22) =   0.580%  kept
          HB3   GLN   17 - HN    LYS+  65   9.27 +/- 1.49   0.053% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  11.81 +/- 0.94   0.006% *  0.0743% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.59 +/- 1.33   0.006% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  13.72 +/- 0.78   0.002% *  0.0819% (0.55   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  15.90 +/- 0.61   0.001% *  0.1014% (0.68   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  17.30 +/- 0.93   0.001% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.16 +/- 0.90   0.000% *  0.0887% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.11 +/- 0.87   0.000% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.15, support = 5.21, residual support = 153.4:
          HG2   LYS+  65 - HN    LYS+  65   2.97 +/- 0.41  93.451% * 49.9772% (0.14   5.42 162.61) =  94.355%  kept
          HG    LEU   67 - HN    LYS+  65   5.93 +/- 1.35   6.105% * 45.7303% (0.36   1.86   0.02) =   5.640%  kept
          HB2   LYS+  74 - HN    LYS+  65   8.96 +/- 1.48   0.277% *  0.4540% (0.34   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    LYS+  65  12.32 +/- 0.88   0.030% *  0.9306% (0.69   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  13.01 +/- 1.39   0.029% *  0.8823% (0.65   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.15 +/- 0.91   0.029% *  0.8823% (0.65   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  65  12.72 +/- 1.32   0.028% *  0.3834% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.75 +/- 1.06   0.021% *  0.3834% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  13.82 +/- 0.87   0.013% *  0.2326% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  13.67 +/- 1.64   0.015% *  0.1439% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.215, support = 4.86, residual support = 141.5:
          HG3   LYS+  65 - HN    LYS+  65   3.31 +/- 0.57  86.843% * 43.5149% (0.17   5.28 162.61) =  86.869%  kept
          HB2   LEU   63 - HN    LYS+  65   4.97 +/- 0.33  11.199% * 50.9278% (0.50   2.12   1.53) =  13.111%  kept
          HB3   ASP-  44 - HN    LYS+  65   7.16 +/- 0.64   1.346% *  0.5525% (0.58   0.02   0.02) =   0.017%
          HB    VAL   42 - HN    LYS+  65   8.55 +/- 0.71   0.428% *  0.1650% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    LYS+  65  13.18 +/- 1.23   0.032% *  0.6258% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  13.62 +/- 0.52   0.023% *  0.6557% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  11.83 +/- 0.78   0.059% *  0.2042% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  14.75 +/- 0.95   0.016% *  0.6557% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  15.90 +/- 0.59   0.009% *  0.6600% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  16.74 +/- 1.66   0.016% *  0.3480% (0.36   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  17.48 +/- 1.29   0.006% *  0.4012% (0.42   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  18.19 +/- 1.31   0.004% *  0.2720% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  19.42 +/- 0.98   0.003% *  0.2966% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  16.91 +/- 0.82   0.007% *  0.1159% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  17.56 +/- 1.43   0.005% *  0.1309% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.49 +/- 1.64   0.003% *  0.2483% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  22.44 +/- 1.00   0.001% *  0.2256% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.73, residual support = 27.9:
          QB    ALA   64 - HN    LYS+  65   2.78 +/- 0.20 100.000% *100.0000% (0.65   4.73  27.90) = 100.000%  kept
    Distance limit 3.37 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 = 7.24:
          HA    ALA   61 - HN    ALA   64   3.37 +/- 0.18  99.148% * 95.1123% (0.95   0.75   7.24) =  99.983%  kept
          HD2   PRO   68 - HN    ALA   64   8.14 +/- 0.57   0.545% *  2.1470% (0.80   0.02   0.02) =   0.012%
          HD3   PRO   58 - HN    ALA   64  10.05 +/- 0.37   0.154% *  1.7345% (0.65   0.02   0.02) =   0.003%
          HA    VAL   75 - HN    ALA   64  10.16 +/- 0.91   0.153% *  1.0063% (0.38   0.02   0.02) =   0.002%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.23, residual support = 20.9:
      O   HA    ALA   64 - HN    ALA   64   2.84 +/- 0.04  99.582% * 99.9016% (0.95  10.0   4.23  20.88) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   8.34 +/- 0.93   0.240% *  0.0235% (0.22   1.0   0.02  30.96) =   0.000%
          QE    LYS+  66 - HN    ALA   64   8.34 +/- 0.66   0.177% *  0.0235% (0.22   1.0   0.02   7.34) =   0.000%
          HB3   ASN   35 - HN    ALA   64  20.88 +/- 0.79   0.001% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.878, support = 4.7, residual support = 26.3:
          QB    LYS+  65 - HN    ALA   64   4.40 +/- 0.17  69.367% * 82.4846% (0.92   4.87  27.90) =  92.322%  kept
          QB    LYS+  66 - HN    ALA   64   5.11 +/- 0.24  29.492% * 16.1241% (0.34   2.58   7.34) =   7.673%  kept
          HB3   GLN   17 - HN    ALA   64  10.47 +/- 1.36   0.603% *  0.3063% (0.84   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    ALA   64  11.53 +/- 0.68   0.230% *  0.3469% (0.95   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    ALA   64  13.99 +/- 0.62   0.070% *  0.2224% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  12.19 +/- 0.77   0.169% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.55 +/- 0.75   0.018% *  0.3063% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.76 +/- 0.91   0.035% *  0.0726% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  17.80 +/- 0.87   0.016% *  0.0642% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.721, support = 7.23, residual support = 54.2:
          HB2   LEU   63 - HN    ALA   64   2.94 +/- 0.33  89.465% * 81.8474% (0.73   7.27  54.52) =  98.949%  kept
          HG3   LYS+  65 - HN    ALA   64   5.33 +/- 0.80   4.918% * 15.5462% (0.25   4.02  27.90) =   1.033%  kept
          HB3   ASP-  44 - HN    ALA   64   5.03 +/- 0.70   4.708% *  0.2591% (0.84   0.02   0.02) =   0.016%
          HB    VAL   42 - HN    ALA   64   6.84 +/- 0.74   0.774% *  0.0774% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   64  11.78 +/- 0.53   0.028% *  0.3075% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   64  12.76 +/- 0.96   0.017% *  0.3075% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.45 +/- 1.04   0.015% *  0.2935% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  10.98 +/- 0.56   0.037% *  0.0958% (0.31   0.02   1.47) =   0.000%
          QB    ALA   84 - HN    ALA   64  14.28 +/- 0.65   0.008% *  0.3096% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  14.49 +/- 1.57   0.011% *  0.1632% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  15.92 +/- 1.42   0.004% *  0.1882% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  17.01 +/- 1.38   0.004% *  0.1275% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.01 +/- 0.88   0.002% *  0.1391% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.73 +/- 0.81   0.005% *  0.0543% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.65 +/- 1.62   0.002% *  0.1164% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  16.99 +/- 1.18   0.003% *  0.0614% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  20.63 +/- 0.89   0.001% *  0.1058% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.81, residual support = 54.5:
          HG    LEU   63 - HN    ALA   64   4.03 +/- 1.20  91.090% * 98.5965% (0.53   6.81  54.52) =  99.984%  kept
          QD1   ILE  119 - HN    ALA   64   7.09 +/- 1.19   6.925% *  0.1089% (0.20   0.02   0.02) =   0.008%
          QG2   VAL  108 - HN    ALA   64  12.77 +/- 1.82   1.795% *  0.3337% (0.61   0.02   0.02) =   0.007%
          HB2   LEU  104 - HN    ALA   64  14.08 +/- 0.97   0.100% *  0.2466% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    ALA   64  16.50 +/- 1.33   0.039% *  0.5078% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  15.98 +/- 0.68   0.051% *  0.2065% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.18 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.73, residual support = 54.5:
          HB3   LEU   63 - HN    ALA   64   3.46 +/- 0.54  77.340% * 99.3325% (0.97   6.73  54.52) =  99.956%  kept
          QG1   VAL   18 - HN    ALA   64   4.75 +/- 0.92  15.526% *  0.1609% (0.53   0.02   7.28) =   0.032%
          QG1   VAL   70 - HN    ALA   64   6.27 +/- 1.22   6.177% *  0.1257% (0.41   0.02   0.02) =   0.010%
          QD1   LEU  123 - HN    ALA   64   9.10 +/- 1.30   0.792% *  0.0681% (0.22   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    ALA   64  14.33 +/- 1.82   0.061% *  0.2448% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64  10.90 +/- 0.81   0.104% *  0.0681% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.824, support = 6.06, residual support = 54.5:
          QD2   LEU   63 - HN    ALA   64   4.16 +/- 0.68  48.611% * 59.7267% (1.00   5.66  54.52) =  59.389%  kept
          QD1   LEU   63 - HN    ALA   64   4.09 +/- 0.62  49.939% * 39.7527% (0.57   6.66  54.52) =  40.608%  kept
          QG2   VAL   41 - HN    ALA   64   9.51 +/- 0.73   0.462% *  0.1280% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.41 +/- 0.64   0.268% *  0.1195% (0.57   0.02   1.47) =   0.001%
          QD2   LEU  115 - HN    ALA   64   9.91 +/- 1.09   0.364% *  0.0526% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  11.12 +/- 0.84   0.188% *  0.0868% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  12.82 +/- 1.61   0.101% *  0.0868% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  13.35 +/- 1.28   0.068% *  0.0470% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.23, residual support = 20.9:
      O   QB    ALA   64 - HN    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.23  20.88) = 100.000%  kept
    Distance limit 3.02 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 = 5.23, residual support = 42.4:
      O   HA    ASP-  62 - HN    LEU   63   3.58 +/- 0.03  99.929% * 99.8321% (0.97  10.0   5.23  42.39) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.41 +/- 0.87   0.066% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  20.00 +/- 0.97   0.003% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  22.30 +/- 0.80   0.002% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 12.1:
          HA    PHE   60 - HN    LEU   63   3.65 +/- 0.28  99.502% * 92.4872% (0.69   1.50  12.14) =  99.994%  kept
          QB    SER  117 - HN    LEU   63  11.91 +/- 0.57   0.093% *  1.7794% (0.99   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LEU   63  10.59 +/- 0.94   0.228% *  0.6124% (0.34   0.02   0.02) =   0.002%
          HA    LYS+ 121 - HN    LEU   63  12.40 +/- 0.80   0.073% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  12.37 +/- 0.64   0.076% *  1.2332% (0.69   0.02   0.02) =   0.001%
          QB    SER   48 - HN    LEU   63  15.76 +/- 0.95   0.019% *  1.0164% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.40 +/- 0.73   0.010% *  1.4995% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.42, residual support = 240.1:
      O   HA    LEU   63 - HN    LEU   63   2.80 +/- 0.03  99.998% * 99.8508% (0.76  10.0   7.42 240.08) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  20.82 +/- 0.79   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  18.74 +/- 1.53   0.001% *  0.0446% (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 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.23, residual support = 42.4:
          HB2   ASP-  62 - HN    LEU   63   3.67 +/- 0.35  99.943% * 99.7487% (0.98   5.23  42.39) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  15.10 +/- 1.58   0.028% *  0.1744% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  14.63 +/- 0.63   0.029% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.23, residual support = 42.4:
          HB3   ASP-  62 - HN    LEU   63   2.86 +/- 0.30  99.990% * 98.9499% (0.95   5.23  42.39) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.17 +/- 0.55   0.008% *  0.3691% (0.92   0.02   1.07) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  20.66 +/- 0.93   0.001% *  0.2263% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.45 +/- 2.09   0.000% *  0.2903% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  23.66 +/- 1.10   0.000% *  0.1644% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.8, residual support = 240.1:
      O   HB2   LEU   63 - HN    LEU   63   2.09 +/- 0.07  99.302% * 98.8228% (0.73  10.0   7.80 240.08) =  99.999%  kept
          HB3   ASP-  44 - HN    LEU   63   5.56 +/- 0.79   0.406% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   63   6.08 +/- 0.87   0.245% *  0.0339% (0.25   1.0   0.02   1.53) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.34 +/- 0.83   0.031% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  10.37 +/- 0.58   0.007% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.93 +/- 0.80   0.002% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  14.09 +/- 0.91   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.43 +/- 1.53   0.002% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  14.81 +/- 0.66   0.001% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.44 +/- 0.55   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  14.57 +/- 1.40   0.001% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  17.39 +/- 1.43   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.83 +/- 1.57   0.000% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.98 +/- 0.86   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.21 +/- 0.86   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.52 +/- 1.14   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.70 +/- 0.89   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.38, residual support = 240.1:
          HG    LEU   63 - HN    LEU   63   3.21 +/- 0.33  99.649% * 99.4914% (1.00   7.38 240.08) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.64 +/- 0.53   0.328% *  0.0473% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  14.05 +/- 1.31   0.019% *  0.1963% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  17.51 +/- 0.73   0.004% *  0.2650% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 1 structures by 0.11 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.44, residual support = 240.1:
      O   HB3   LEU   63 - HN    LEU   63   3.37 +/- 0.10  96.190% * 99.7743% (0.97  10.0   7.44 240.08) =  99.998%  kept
          QG1   VAL   18 - HN    LEU   63   6.89 +/- 0.78   1.549% *  0.0544% (0.53   1.0   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   7.45 +/- 1.19   1.225% *  0.0425% (0.41   1.0   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   63   7.86 +/- 1.11   0.875% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  13.66 +/- 1.73   0.126% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.84 +/- 0.88   0.035% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.879, support = 6.81, residual support = 240.1:
          QD1   LEU   63 - HN    LEU   63   3.40 +/- 0.46  71.668% * 47.8782% (0.90   6.51 240.08) =  70.765%  kept
          QD2   LEU   63 - HN    LEU   63   4.10 +/- 0.19  27.446% * 51.6486% (0.84   7.54 240.08) =  29.234%  kept
          QD2   LEU  115 - HN    LEU   63   7.86 +/- 1.01   0.699% *  0.0929% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   63  12.37 +/- 0.60   0.035% *  0.1471% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  11.25 +/- 0.77   0.059% *  0.0456% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  13.02 +/- 0.81   0.027% *  0.0506% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  14.80 +/- 1.26   0.013% *  0.0863% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  12.43 +/- 1.02   0.035% *  0.0253% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  14.22 +/- 1.57   0.018% *  0.0253% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.75 +/- 0.52  99.986% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  14.33 +/- 1.46   0.008% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  15.22 +/- 0.78   0.006% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.42 +/- 0.26  99.998% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.05 +/- 0.53   0.001% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  21.69 +/- 0.79   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.20 +/- 2.02   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  24.77 +/- 1.40   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.343, support = 0.0197, residual support = 0.0197:
          QB    LYS+  66 - HN    ASP-  62   5.69 +/- 0.54  94.054% *  5.0993% (0.32   0.02   0.02) =  91.204%  kept
          HG    LEU  123 - HN    ASP-  62  12.18 +/- 0.83   1.076% * 12.8527% (0.82   0.02   0.02) =   2.629%  kept
          HG3   PRO   68 - HN    ASP-  62  12.23 +/- 1.21   1.339% *  8.7895% (0.56   0.02   0.02) =   2.238%  kept
          HG2   ARG+  54 - HN    ASP-  62  13.16 +/- 1.00   0.715% *  7.6923% (0.49   0.02   0.02) =   1.046%  kept
          HB3   PRO   52 - HN    ASP-  62  15.33 +/- 0.90   0.293% * 12.8527% (0.82   0.02   0.02) =   0.717%  kept
          HB3   ASP- 105 - HN    ASP-  62  14.55 +/- 1.01   0.435% *  7.1484% (0.45   0.02   0.02) =   0.592%  kept
          HG2   PRO   93 - HN    ASP-  62  12.70 +/- 0.80   0.963% *  2.3795% (0.15   0.02   0.02) =   0.436%
          QB    LYS+ 106 - HN    ASP-  62  13.99 +/- 0.98   0.513% *  3.3879% (0.21   0.02   0.02) =   0.330%
          HB    VAL   41 - HN    ASP-  62  16.20 +/- 0.80   0.211% *  7.6923% (0.49   0.02   0.02) =   0.308%
          HG12  ILE  103 - HN    ASP-  62  18.16 +/- 1.13   0.113% *  9.8662% (0.63   0.02   0.02) =   0.211%
          HB    ILE  103 - HN    ASP-  62  20.22 +/- 0.83   0.055% *  8.2409% (0.52   0.02   0.02) =   0.087%
          QB    LYS+  33 - HN    ASP-  62  19.28 +/- 0.71   0.067% *  5.5858% (0.35   0.02   0.02) =   0.071%
          QB    LYS+  81 - HN    ASP-  62  18.52 +/- 0.84   0.094% *  3.7777% (0.24   0.02   0.02) =   0.067%
          HB3   GLN   90 - HN    ASP-  62  19.80 +/- 1.28   0.072% *  4.6346% (0.29   0.02   0.02) =   0.064%
    Distance limit 4.26 A violated in 17 structures by 1.38 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   2.81 +/- 0.14  98.187% * 94.7960% (0.80   2.79   8.32) =  99.991%  kept
          QG    LYS+  66 - HN    ASP-  62   6.39 +/- 1.07   1.652% *  0.4468% (0.52   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ASP-  62   9.42 +/- 0.76   0.087% *  0.5898% (0.69   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ASP-  62  12.46 +/- 1.55   0.017% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.19 +/- 1.17   0.033% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.54 +/- 1.22   0.004% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.40 +/- 1.32   0.007% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  17.33 +/- 1.76   0.002% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.81 +/- 0.60   0.005% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  17.10 +/- 1.37   0.002% *  0.5060% (0.59   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.07 +/- 0.55   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.88 +/- 1.54   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.847, support = 1.59, residual support = 3.32:
          QB    LYS+  65 - HN    LEU   63   4.64 +/- 0.34  47.179% * 54.8862% (0.76   1.93   1.53) =  54.610%  kept
          QB    LYS+  66 - HN    LEU   63   4.56 +/- 0.33  51.986% * 41.3942% (0.95   1.18   5.47) =  45.383%  kept
          HG    LEU  123 - HN    LEU   63  10.96 +/- 1.04   0.371% *  0.2789% (0.38   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    LEU   63  12.50 +/- 0.70   0.126% *  0.7365% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  13.83 +/- 0.75   0.068% *  0.5396% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.12 +/- 0.85   0.060% *  0.5950% (0.80   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  12.72 +/- 1.37   0.141% *  0.1654% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  16.04 +/- 1.14   0.029% *  0.4807% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.13 +/- 0.95   0.028% *  0.2789% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.41 +/- 0.68   0.012% *  0.6446% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.87, residual support = 40.9:
      O   HA    PHE   60 - HN    ALA   61   3.64 +/- 0.01  99.691% * 99.3945% (0.69  10.0   4.87  40.86) = 100.000%  kept
          HB    THR   94 - HN    ALA   61  11.38 +/- 0.88   0.127% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  12.78 +/- 1.11   0.063% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    ALA   61  13.77 +/- 0.60   0.035% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.13 +/- 0.88   0.032% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.84 +/- 0.76   0.036% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  15.80 +/- 0.71   0.016% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 2.78, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.83 +/- 0.04  98.760% * 99.8077% (0.95  10.0   2.78  18.04) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   6.01 +/- 0.40   1.183% *  0.0683% (0.65   1.0   0.02   0.70) =   0.001%
          HA    VAL   75 - HN    ALA   61  10.51 +/- 0.86   0.043% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   61  12.57 +/- 0.70   0.014% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.84, residual support = 40.9:
          HB2   PHE   60 - HN    ALA   61   2.89 +/- 0.39  97.649% * 99.4611% (0.84   4.84  40.86) =  99.998%  kept
          HB    THR   46 - HN    ALA   61   6.24 +/- 1.08   2.348% *  0.0974% (0.20   0.02   0.02) =   0.002%
          HB2   TRP   87 - HN    ALA   61  17.61 +/- 1.09   0.002% *  0.4414% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 40.9:
          HB3   PHE   60 - HN    ALA   61   3.49 +/- 0.63  99.917% * 99.1717% (0.98   4.87  40.86) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.12 +/- 1.67   0.033% *  0.3601% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.25 +/- 0.95   0.030% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  15.68 +/- 0.89   0.018% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.65 +/- 1.22   0.001% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.03 +/- 0.07  99.937% * 99.0576% (0.73  10.0   4.03  18.04) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.48 +/- 1.08   0.030% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.46 +/- 1.16   0.013% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.51 +/- 0.67   0.006% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.57 +/- 1.21   0.007% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  11.62 +/- 1.74   0.004% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.81 +/- 0.76   0.001% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  15.39 +/- 1.79   0.001% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  15.84 +/- 1.35   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  15.24 +/- 1.32   0.001% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.75 +/- 1.48   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.1, residual support = 40.7:
          HD3   PRO   58 - HN    PHE   59   2.33 +/- 0.08  99.887% * 99.4993% (0.76   6.10  40.68) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.32 +/- 0.16   0.109% *  0.1136% (0.26   0.02   0.19) =   0.000%
          HA    VAL   75 - HN    PHE   59  14.25 +/- 0.69   0.002% *  0.3213% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  13.98 +/- 0.97   0.003% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 58.6:
      O   HB2   PHE   59 - HN    PHE   59   2.37 +/- 0.41  99.629% * 99.5977% (0.76  10.0   4.37  58.62) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   7.26 +/- 0.70   0.173% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   8.32 +/- 1.28   0.158% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  10.52 +/- 1.01   0.025% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  11.52 +/- 1.38   0.010% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  13.08 +/- 1.05   0.006% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 58.6:
      O   HB3   PHE   59 - HN    PHE   59   2.60 +/- 0.55  99.922% * 99.9594% (0.67  10.0   4.98  58.62) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.53 +/- 0.88   0.073% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  15.74 +/- 1.04   0.005% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.61, residual support = 40.7:
      O   HB2   PRO   58 - HN    PHE   59   3.47 +/- 0.57  99.387% * 98.5251% (0.19  10.0   6.61  40.68) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   9.67 +/- 1.16   0.567% *  0.3300% (0.64   1.0   0.02   0.30) =   0.002%
          HB3   PHE   97 - HN    PHE   59  14.89 +/- 1.44   0.026% *  0.2714% (0.53   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  16.75 +/- 1.72   0.018% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.03 +/- 0.85   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  26.00 +/- 0.66   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.7:
          HG2   PRO   58 - HN    PHE   59   2.84 +/- 0.36  99.596% * 98.7281% (0.76   6.30  40.68) =  99.999%  kept
          HB2   PRO   93 - HN    PHE   59   8.17 +/- 0.98   0.286% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  12.87 +/- 1.25   0.020% *  0.3134% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59  10.01 +/- 0.97   0.084% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.18 +/- 1.54   0.009% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.73 +/- 0.87   0.003% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  23.99 +/- 2.33   0.000% *  0.3191% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  31.94 +/- 3.87   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.688, support = 6.26, residual support = 40.5:
      O   HB3   PRO   58 - HN    PHE   59   4.01 +/- 0.30  71.372% * 97.6194% (0.69  10.0   6.30  40.68) =  99.174%  kept
          HB    ILE   56 - HN    PHE   59   5.06 +/- 1.20  28.506% *  2.0356% (0.19   1.0   1.50  19.87) =   0.826%  kept
          HB2   MET   92 - HN    PHE   59  13.06 +/- 1.34   0.081% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.63 +/- 0.80   0.034% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.18 +/- 0.97   0.003% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  23.90 +/- 1.92   0.002% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  26.37 +/- 0.86   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  32.04 +/- 3.67   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.15 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 19.9:
          QG1   ILE   56 - HN    PHE   59   3.65 +/- 0.59  99.646% * 97.7319% (0.67   4.26  19.87) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  11.95 +/- 1.19   0.130% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  14.48 +/- 1.71   0.071% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  14.09 +/- 1.44   0.055% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.72 +/- 0.73   0.055% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  17.33 +/- 0.72   0.012% *  0.3205% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  18.79 +/- 1.18   0.008% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  16.19 +/- 0.97   0.019% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.74 +/- 1.08   0.005% *  0.4039% (0.59   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.03 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.358, support = 0.02, residual support = 1.68:
          HA    ALA   61 - HN    ALA   57   9.13 +/- 0.77  96.900% * 14.7090% (0.34   0.02   1.77) =  94.571%  kept
          HD2   PRO   68 - HN    ALA   57  17.25 +/- 1.12   2.344% * 22.6869% (0.53   0.02   0.02) =   3.528%  kept
          HA    VAL   24 - HN    ALA   57  21.56 +/- 0.82   0.619% * 41.6148% (0.97   0.02   0.02) =   1.709%  kept
          HA    LYS+  38 - HN    ALA   57  27.52 +/- 1.36   0.138% * 20.9893% (0.49   0.02   0.02) =   0.192%
    Distance limit 3.49 A violated in 20 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.342, support = 0.199, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   5.62 +/- 0.83  72.204% * 81.7451% (0.34   0.21   0.02) =  96.336%  kept
          HD2   ARG+  54 - HN    ALA   57   8.26 +/- 1.94  19.441% *  9.5708% (0.41   0.02   0.02) =   3.037%  kept
          HD3   PRO   93 - HN    ALA   57   8.37 +/- 1.56   8.217% *  4.6071% (0.20   0.02   0.02) =   0.618%  kept
          HD3   PRO   68 - HN    ALA   57  16.43 +/- 1.11   0.138% *  4.0771% (0.18   0.02   0.02) =   0.009%
    Distance limit 4.45 A violated in 10 structures by 0.82 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.511, support = 4.89, residual support = 29.9:
          HB    ILE   56 - HN    ALA   57   4.13 +/- 0.61  80.316% * 25.6662% (0.25   5.34  33.50) =  59.627%  kept
          HB3   PRO   58 - HN    ALA   57   5.49 +/- 0.52  19.089% * 73.1113% (0.90   4.23  24.56) =  40.368%  kept
          HB2   MET   92 - HN    ALA   57  10.89 +/- 1.64   0.552% *  0.2801% (0.73   0.02   0.02) =   0.004%
          HB3   MET   96 - HN    ALA   57  15.32 +/- 1.39   0.037% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  22.38 +/- 1.22   0.004% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  26.11 +/- 2.20   0.002% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  34.22 +/- 3.95   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.83 +/- 1.37   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.06 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 +/- 0.49  99.954% * 99.4737% (0.92  10.0   4.87  24.31) = 100.000%  kept
          QD    LYS+  65 - HN    ALA   57  11.34 +/- 1.13   0.023% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   57  13.10 +/- 1.21   0.011% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.60 +/- 1.36   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  14.91 +/- 0.92   0.005% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.49 +/- 1.43   0.002% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  18.75 +/- 1.13   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.65 +/- 1.50   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.71 +/- 1.30   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 33.5:
          QG2   ILE   56 - HN    ALA   57   3.46 +/- 0.79  99.796% * 97.4851% (0.87   5.34  33.50) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  11.60 +/- 1.30   0.124% *  0.4064% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   57  12.93 +/- 1.30   0.059% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  19.65 +/- 1.16   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.88 +/- 1.06   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  20.99 +/- 1.32   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.91 +/- 0.93   0.005% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  22.66 +/- 1.30   0.002% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.51 +/- 1.82   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.94 +/- 1.76   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.20 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.1:
      O   HB2   ASN   69 - HD21  ASN   69   3.30 +/- 0.44  99.587% * 99.6854% (0.36  10.0   3.63  61.12) =  99.999%  kept
          QE    LYS+  66 - HD21  ASN   69  10.84 +/- 2.20   0.401% *  0.1287% (0.47   1.0   0.02   0.02) =   0.001%
          HB3   ASN   35 - HD21  ASN   69  16.58 +/- 1.76   0.009% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  21.43 +/- 1.29   0.002% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  25.58 +/- 1.29   0.001% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.04 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.316, support = 4.11, residual support = 27.3:
          QG1   VAL   70 - HD21  ASN   69   4.02 +/- 1.23  75.912% * 94.6441% (0.32   4.15  27.56) =  99.037%  kept
          QD1   LEU   71 - HD21  ASN   69   6.65 +/- 1.76  21.452% *  3.1988% (0.19   0.23   0.02) =   0.946%  kept
          QG1   VAL   18 - HD21  ASN   69   9.23 +/- 1.40   0.893% *  0.5539% (0.39   0.02   0.02) =   0.007%
          QD1   LEU  123 - HD21  ASN   69   9.92 +/- 2.53   1.296% *  0.2751% (0.19   0.02   0.02) =   0.005%
          HB3   LEU   63 - HD21  ASN   69  10.78 +/- 1.83   0.439% *  0.8064% (0.56   0.02   0.02) =   0.005%
          QG1   VAL  108 - HD21  ASN   69  19.46 +/- 1.71   0.007% *  0.5217% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 0.0199, residual support = 0.0199:
          HA    LEU  123 - HD21  ASN   69  10.49 +/- 3.31  24.618% * 14.3693% (0.39   0.02   0.02) =  40.849%  kept
          HA    LYS+  99 - HD21  ASN   69   9.15 +/- 1.69  15.685% * 19.7883% (0.53   0.02   0.02) =  35.841%  kept
          HA    LEU   40 - HD21  ASN   69   7.50 +/- 1.72  56.853% *  2.8311% (0.08   0.02   0.02) =  18.586%  kept
          HA    ASN   35 - HD21  ASN   69  14.15 +/- 1.74   1.546% * 17.4728% (0.47   0.02   0.02) =   3.118%  kept
          HA    PHE   59 - HD21  ASN   69  15.40 +/- 2.08   1.011% *  8.6000% (0.23   0.02   0.02) =   1.004%  kept
          HA    ILE   56 - HD21  ASN   69  20.71 +/- 2.48   0.171% * 16.7505% (0.45   0.02   0.02) =   0.330%
          HA    ASP- 113 - HD21  ASN   69  21.74 +/- 2.83   0.116% * 20.1881% (0.54   0.02   0.02) =   0.271%
    Distance limit 4.78 A violated in 13 structures by 1.76 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.28, residual support = 19.8:
          QB    PHE   55 - HN    ILE   56   2.61 +/- 0.24  95.537% * 97.6875% (0.97   4.28  19.80) =  99.979%  kept
          HB3   CYS   53 - HN    ILE   56   5.20 +/- 0.52   2.450% *  0.4569% (0.97   0.02   0.02) =   0.012%
          HB2   PHE   59 - HN    ILE   56   6.18 +/- 1.18   1.092% *  0.3618% (0.76   0.02  19.87) =   0.004%
          HD3   PRO   93 - HN    ILE   56   6.59 +/- 1.21   0.581% *  0.4724% (1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    ILE   56   7.13 +/- 0.54   0.326% *  0.4370% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  18.38 +/- 1.17   0.001% *  0.4692% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  16.41 +/- 2.67   0.008% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.01 +/- 2.00   0.002% *  0.0198% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.31 +/- 2.06   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.35 +/- 1.52   0.001% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  20.10 +/- 1.84   0.001% *  0.0204% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  24.90 +/- 1.90   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 6.05, residual support = 124.4:
      O   HB    ILE   56 - HN    ILE   56   3.12 +/- 0.67  89.916% * 99.2786% (0.87  10.0   6.05 124.40) =  99.997%  kept
          HG2   ARG+  54 - HN    ILE   56   5.61 +/- 0.90   7.507% *  0.0200% (0.18   1.0   0.02   0.02) =   0.002%
          HB3   PRO   58 - HN    ILE   56   7.68 +/- 0.74   0.827% *  0.0916% (0.80   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    ILE   56   9.20 +/- 1.32   0.557% *  0.1083% (0.95   1.0   0.02   0.02) =   0.001%
          HB2   MET   92 - HZ2   TRP   87  15.64 +/- 2.94   0.330% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.69 +/- 1.09   0.018% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  10.67 +/- 3.74   0.150% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  10.26 +/- 1.50   0.296% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.34 +/- 0.85   0.012% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  17.12 +/- 1.00   0.006% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  12.70 +/- 2.46   0.152% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.05 +/- 0.76   0.079% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.78 +/- 1.20   0.006% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  23.91 +/- 1.06   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  11.42 +/- 1.60   0.090% *  0.0008% (0.01   1.0   0.02   0.54) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  13.50 +/- 3.17   0.028% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  20.42 +/- 1.52   0.002% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.01 +/- 1.31   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  30.29 +/- 0.87   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  25.41 +/- 0.72   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  18.87 +/- 3.11   0.003% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.29 +/- 2.13   0.003% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  15.26 +/- 1.40   0.013% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  22.04 +/- 1.11   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  36.58 +/- 3.85   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  23.21 +/- 2.08   0.001% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  21.63 +/- 2.01   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  31.48 +/- 3.54   0.000% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.25 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 124.4:
          QG1   ILE   56 - HN    ILE   56   3.93 +/- 0.44  95.123% * 98.0275% (0.87   5.17 124.40) =  99.995%  kept
          HB3   MET   92 - HN    ILE   56   8.33 +/- 1.13   2.068% *  0.1958% (0.45   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    ILE   56  11.90 +/- 1.32   0.193% *  0.1490% (0.34   0.02   2.10) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.95 +/- 1.46   0.052% *  0.3498% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   8.12 +/- 0.63   1.556% *  0.0065% (0.01   0.02  20.47) =   0.000%
          HB    ILE   89 - HN    ILE   56  14.93 +/- 0.66   0.036% *  0.1490% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  11.15 +/- 1.72   0.329% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  11.28 +/- 2.87   0.410% *  0.0115% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  20.07 +/- 0.93   0.006% *  0.2649% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  22.15 +/- 1.10   0.004% *  0.3649% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  23.24 +/- 1.10   0.003% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.14 +/- 1.17   0.012% *  0.0674% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.52 +/- 2.49   0.085% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  15.59 +/- 2.10   0.049% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  16.02 +/- 1.99   0.041% *  0.0158% (0.04   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.15 +/- 1.66   0.026% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.19 +/- 3.11   0.006% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  24.64 +/- 1.59   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.18 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.523, support = 0.666, residual support = 1.81:
          QB    ALA  110 - HN    ILE   56   5.93 +/- 2.84  60.097% * 13.6846% (0.20   0.73   3.34) =  44.984%  kept
          HB3   LEU  115 - HN    ILE   56   7.16 +/- 0.95  13.643% * 55.9023% (0.92   0.64   0.56) =  41.718%  kept
          HG    LEU  115 - HN    ILE   56   7.55 +/- 1.05  13.230% * 18.1151% (0.38   0.51   0.56) =  13.109%  kept
          QB    ALA   61 - HN    ILE   56   8.84 +/- 0.65   3.375% *  0.7066% (0.38   0.02   0.02) =   0.130%
          QG    LYS+  66 - HN    ILE   56  13.78 +/- 1.23   0.229% *  1.3672% (0.73   0.02   0.02) =   0.017%
          QB    ALA  120 - HN    ILE   56  13.32 +/- 0.92   0.316% *  0.7066% (0.38   0.02   0.02) =   0.012%
          HG    LEU   73 - HZ2   TRP   87  10.19 +/- 3.31   2.385% *  0.0733% (0.04   0.02   0.02) =   0.010%
          HG    LEU   67 - HN    ILE   56  17.81 +/- 1.67   0.063% *  1.5726% (0.84   0.02   0.02) =   0.005%
          HG    LEU   80 - HZ2   TRP   87   8.96 +/- 2.88   4.810% *  0.0182% (0.01   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE   56  17.78 +/- 1.05   0.045% *  0.9906% (0.53   0.02   0.02) =   0.002%
          HG    LEU   73 - HN    ILE   56  20.56 +/- 1.32   0.018% *  1.6885% (0.90   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE   56  21.51 +/- 1.17   0.014% *  1.7380% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  15.04 +/- 2.38   0.185% *  0.0754% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.54 +/- 1.90   0.031% *  0.4192% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HZ2   TRP   87  14.99 +/- 2.35   0.164% *  0.0789% (0.04   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ2   TRP   87  15.98 +/- 2.59   0.599% *  0.0162% (0.01   0.02   0.02) =   0.001%
          HB3   LEU  115 - HZ2   TRP   87  18.39 +/- 2.50   0.125% *  0.0754% (0.04   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    ILE   56  27.18 +/- 1.75   0.003% *  1.8170% (0.97   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  17.54 +/- 2.52   0.070% *  0.0682% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  15.05 +/- 0.91   0.148% *  0.0307% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  22.32 +/- 0.94   0.011% *  0.3726% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  23.18 +/- 0.94   0.010% *  0.2905% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  16.86 +/- 1.93   0.067% *  0.0430% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  15.29 +/- 2.94   0.160% *  0.0126% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  16.10 +/- 2.55   0.102% *  0.0162% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  20.29 +/- 2.44   0.048% *  0.0307% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  19.66 +/- 1.51   0.023% *  0.0593% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  19.89 +/- 1.17   0.027% *  0.0307% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 7 structures by 0.66 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.66, residual support = 124.4:
          QG2   ILE   56 - HN    ILE   56   2.82 +/- 0.43  97.622% * 98.4574% (1.00   6.66 124.40) = 100.000%  kept
          QB    ALA   91 - HZ2   TRP   87  11.98 +/- 2.85   2.143% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   56  10.38 +/- 1.05   0.056% *  0.2146% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  10.23 +/- 2.71   0.096% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  14.81 +/- 1.27   0.007% *  0.0585% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  12.43 +/- 2.26   0.030% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  21.11 +/- 0.61   0.001% *  0.2795% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  21.16 +/- 0.70   0.001% *  0.2146% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  20.94 +/- 0.99   0.001% *  0.1911% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.43 +/- 2.63   0.010% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  15.31 +/- 1.86   0.006% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  23.07 +/- 0.96   0.000% *  0.1109% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.67 +/- 1.93   0.013% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.10 +/- 2.77   0.005% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  19.07 +/- 3.12   0.002% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  31.39 +/- 1.32   0.000% *  0.2795% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  24.63 +/- 0.90   0.000% *  0.0517% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.66 +/- 1.25   0.000% *  0.0658% (0.22   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  16.86 +/- 2.97   0.004% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.35 +/- 2.36   0.003% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.08 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.921, support = 5.67, residual support = 80.1:
          HB3   CYS   53 - HN    ARG+  54   3.80 +/- 0.29  47.480% * 35.6533% (0.94   5.36  31.95) =  52.095%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.33 +/- 0.61  26.557% * 45.3416% (0.95   6.76 170.24) =  37.056%  kept
          QB    PHE   55 - HN    ARG+  54   4.39 +/- 0.13  18.970% * 18.5703% (0.76   3.46   3.13) =  10.841%  kept
          HD3   PRO   93 - HN    ARG+  54   7.59 +/- 1.69   1.414% *  0.1203% (0.85   0.02   0.02) =   0.005%
          HB2   PHE   59 - HN    ASP-  62   5.53 +/- 0.25   4.946% *  0.0132% (0.09   0.02   6.64) =   0.002%
          HB2   PHE   59 - HN    ARG+  54   9.92 +/- 1.02   0.173% *  0.0706% (0.50   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  10.60 +/- 1.33   0.163% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62   9.95 +/- 1.00   0.176% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  11.06 +/- 0.71   0.081% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  13.68 +/- 0.77   0.022% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  14.77 +/- 1.48   0.017% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  21.53 +/- 1.06   0.001% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.53, residual support = 170.2:
      O   HB2   ARG+  54 - HN    ARG+  54   2.96 +/- 0.61  99.465% * 96.9633% (0.26  10.0   6.53 170.24) = 100.000%  kept
          HB    ILE  119 - HN    ASP-  62   9.08 +/- 0.67   0.253% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  14.01 +/- 1.26   0.018% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  12.96 +/- 1.41   0.030% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.70 +/- 1.07   0.030% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  12.74 +/- 1.60   0.041% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.25 +/- 1.67   0.012% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.78 +/- 1.01   0.007% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.72 +/- 0.91   0.032% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  16.13 +/- 1.42   0.008% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  12.13 +/- 1.20   0.042% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  13.35 +/- 1.04   0.020% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.22 +/- 1.61   0.013% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  16.82 +/- 1.06   0.005% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  17.88 +/- 1.66   0.004% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  23.72 +/- 1.77   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.51 +/- 1.20   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  25.49 +/- 1.59   0.000% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.81 +/- 0.80   0.011% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  18.09 +/- 1.12   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  25.29 +/- 1.10   0.000% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  26.71 +/- 1.13   0.000% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  27.86 +/- 1.30   0.000% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  23.32 +/- 1.04   0.001% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.61 +/- 1.23   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.31 +/- 1.07   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.94 +/- 1.07   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  24.28 +/- 0.95   0.001% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.13 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.933, support = 6.5, residual support = 169.1:
          HG2   ARG+  54 - HN    ARG+  54   3.09 +/- 0.32  94.211% * 84.6747% (0.94   6.52 170.24) =  99.301%  kept
          HB3   PRO   52 - HN    ARG+  54   5.30 +/- 0.23   4.390% * 12.7565% (0.29   3.15   1.75) =   0.697%  kept
          HB    ILE   56 - HN    ARG+  54   7.14 +/- 0.98   0.891% *  0.1275% (0.46   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    ASP-  62   9.05 +/- 1.25   0.347% *  0.0239% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  14.88 +/- 1.92   0.011% *  0.2529% (0.91   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.23 +/- 1.21   0.034% *  0.0473% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  16.02 +/- 1.31   0.006% *  0.2419% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  16.17 +/- 1.00   0.006% *  0.2350% (0.85   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  13.16 +/- 1.00   0.022% *  0.0486% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  13.99 +/- 0.98   0.017% *  0.0440% (0.16   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  12.18 +/- 0.83   0.032% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  14.55 +/- 1.01   0.009% *  0.0489% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.33 +/- 1.07   0.001% *  0.2614% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  23.69 +/- 1.40   0.001% *  0.2529% (0.91   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.70 +/- 1.30   0.000% *  0.2568% (0.93   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.33 +/- 0.90   0.007% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.70 +/- 1.22   0.001% *  0.0809% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  18.52 +/- 0.84   0.002% *  0.0453% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.28 +/- 0.71   0.002% *  0.0486% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  19.80 +/- 1.28   0.002% *  0.0473% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  26.85 +/- 0.80   0.000% *  0.2597% (0.94   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.22 +/- 0.83   0.001% *  0.0481% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.14 +/- 1.01   0.003% *  0.0097% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  25.19 +/- 0.98   0.000% *  0.0519% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.63 +/- 0.74   0.001% *  0.0167% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  33.08 +/- 0.79   0.000% *  0.0894% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.78, residual support = 8.29:
          QB    ALA   61 - HN    ASP-  62   2.81 +/- 0.14  96.802% * 61.3912% (0.16   2.79   8.32) =  99.588%  kept
          QB    ALA  110 - HN    ARG+  54   7.69 +/- 2.80   1.372% * 17.4232% (0.95   0.14   0.02) =   0.401%
          QG    LYS+  66 - HN    ASP-  62   6.39 +/- 1.07   1.607% *  0.2893% (0.11   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    ARG+  54  10.06 +/- 0.79   0.050% *  2.3534% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62   9.42 +/- 0.76   0.086% *  0.3820% (0.14   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ASP-  62  12.46 +/- 1.55   0.017% *  0.4770% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.19 +/- 1.17   0.033% *  0.2322% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.54 +/- 1.35   0.003% *  1.5463% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.46 +/- 1.90   0.001% *  2.5437% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.46 +/- 1.73   0.001% *  1.7512% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  17.51 +/- 1.29   0.002% *  1.2409% (0.46   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.54 +/- 1.22   0.004% *  0.4728% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.40 +/- 1.32   0.006% *  0.2510% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.59 +/- 0.97   0.001% *  2.0414% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  17.33 +/- 1.76   0.002% *  0.4760% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.81 +/- 0.60   0.005% *  0.1961% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  20.79 +/- 1.17   0.001% *  1.3413% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  17.10 +/- 1.37   0.002% *  0.3277% (0.12   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  24.65 +/- 1.04   0.000% *  2.5268% (0.94   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  21.77 +/- 1.36   0.000% *  1.0481% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.07 +/- 0.55   0.003% *  0.1189% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  22.11 +/- 0.66   0.000% *  0.6357% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  30.00 +/- 1.68   0.000% *  0.7869% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.88 +/- 1.54   0.000% *  0.1472% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.457, support = 2.83, residual support = 10.9:
      O   HA2   GLY   51 - HN    GLY   51   2.70 +/- 0.22  41.284% * 83.6612% (0.49  10.0   2.21  10.14) =  79.472%  kept
          HD2   PRO   52 - HN    GLY   51   2.66 +/- 0.71  58.542% * 15.2390% (0.34   1.0   5.20  13.77) =  20.527%  kept
          QB    SER   48 - HN    GLY   51   6.50 +/- 0.50   0.169% *  0.1314% (0.76   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  12.78 +/- 0.89   0.003% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.47 +/- 1.19   0.001% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  20.69 +/- 1.25   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  17.31 +/- 2.07   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.83 +/- 1.01   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.27 +/- 0.96   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.43 +/- 0.87   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  28.94 +/- 1.70   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  31.39 +/- 0.70   0.000% *  0.0340% (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 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.19, residual support = 7.12:
      O   QB    CYS   50 - HN    CYS   50   3.01 +/- 0.23  98.791% * 99.5090% (0.69  10.0   1.19   7.12) =  99.998%  kept
          HB3   ASP-  78 - HN    CYS   50   7.67 +/- 2.37   1.175% *  0.2026% (0.84   1.0   0.02   0.02) =   0.002%
          QE    LYS+  74 - HN    CYS   50  12.55 +/- 1.66   0.032% *  0.1761% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  22.36 +/- 1.24   0.001% *  0.0374% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  26.96 +/- 1.31   0.000% *  0.0749% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.03, residual support = 7.32:
          QB    ALA   47 - HN    CYS   50   2.11 +/- 0.15  99.997% * 97.7063% (0.57   2.03   7.32) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  13.65 +/- 0.67   0.002% *  1.2341% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  15.15 +/- 0.81   0.001% *  0.7620% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  16.64 +/- 1.50   0.001% *  0.2976% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.342, support = 3.78, residual support = 15.5:
          QB    SER   48 - HN    TRP   49   2.97 +/- 0.33  69.452% * 27.7515% (0.45   1.0   3.92  15.50) =  52.775%  kept
      O   HA    SER   48 - HN    TRP   49   3.57 +/- 0.05  24.494% * 70.3659% (0.22  10.0   3.63  15.50) =  47.194%  kept
          HD2   PRO   52 - HN    TRP   49   4.97 +/- 0.74   5.301% *  0.2045% (0.65   1.0   0.02   3.49) =   0.030%
          HA2   GLY   51 - HN    TRP   49   6.51 +/- 0.48   0.716% *  0.0704% (0.22   1.0   0.02   0.02) =   0.001%
          QB    SER   85 - HN    TRP   49  13.80 +/- 1.36   0.009% *  0.3050% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  11.74 +/- 0.80   0.021% *  0.1078% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  15.09 +/- 2.30   0.007% *  0.1299% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  20.56 +/- 1.24   0.001% *  0.3133% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  25.26 +/- 1.16   0.000% *  0.2171% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  28.23 +/- 1.57   0.000% *  0.3050% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  26.41 +/- 1.05   0.000% *  0.0879% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  29.13 +/- 0.91   0.000% *  0.1417% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 85.3:
      O   HB3   TRP   49 - HN    TRP   49   3.51 +/- 0.15  99.987% * 99.8958% (0.80  10.0   4.00  85.29) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  15.83 +/- 0.81   0.013% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.415, support = 2.61, residual support = 9.66:
      O   QB    SER   48 - HN    SER   48   2.33 +/- 0.21  73.697% * 66.2308% (0.45  10.0   2.61   9.66) =  85.112%  kept
      O   HA    SER   48 - HN    SER   48   2.79 +/- 0.03  25.958% * 32.8893% (0.22  10.0   2.61   9.66) =  14.887%  kept
          HD2   PRO   52 - HN    SER   48   6.25 +/- 1.00   0.290% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.62 +/- 0.50   0.031% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48   9.97 +/- 0.97   0.014% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.07 +/- 1.31   0.005% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.34 +/- 2.26   0.004% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  19.32 +/- 1.33   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  24.50 +/- 1.16   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  26.54 +/- 1.43   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.72 +/- 0.91   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  25.34 +/- 1.04   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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   2.97 +/- 0.21  99.975% * 99.1203% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.56 +/- 0.83   0.009% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  13.43 +/- 0.80   0.015% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  18.68 +/- 1.35   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 = 0.834, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   6.71 +/- 1.24  98.469% * 52.2208% (0.84   0.02   0.02) =  98.597%  kept
          HB2   TRP   87 - HN    ALA   47  15.15 +/- 0.97   1.531% * 47.7792% (0.76   0.02   0.02) =   1.403%  kept
    Distance limit 4.14 A violated in 19 structures by 2.55 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.964, support = 1.5, residual support = 7.31:
          QB    CYS   50 - HN    ALA   47   4.32 +/- 0.62  84.967% * 96.8729% (0.97   1.50   7.32) =  99.867%  kept
          HB3   ASP-  78 - HN    ALA   47   7.10 +/- 2.20  13.181% *  0.6515% (0.49   0.02   0.02) =   0.104%
          QE    LYS+  74 - HN    ALA   47   9.64 +/- 1.61   1.819% *  1.3119% (0.98   0.02   0.02) =   0.029%
          HB2   PHE   72 - HN    ALA   47  16.36 +/- 0.89   0.029% *  0.2980% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  23.13 +/- 1.43   0.004% *  0.8658% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 2 structures by 0.44 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   3.04 +/- 0.69  99.875% * 97.5705% (0.97   3.21  12.67) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  11.90 +/- 1.20   0.060% *  0.5657% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    ALA   47  12.07 +/- 0.41   0.051% *  0.4333% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  17.28 +/- 0.89   0.006% *  0.5967% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.17 +/- 0.41   0.006% *  0.3070% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  19.87 +/- 0.96   0.003% *  0.5269% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 10.9:
      O   QB    ALA   47 - HN    ALA   47   2.36 +/- 0.15  99.976% * 99.7622% (0.57  10.0   2.36  10.94) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  10.56 +/- 0.70   0.015% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.88 +/- 0.81   0.007% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.26 +/- 1.54   0.002% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 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   3.13 +/- 0.45  99.943% * 99.3656% (0.25  10.0   3.25  34.51) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46  13.05 +/- 1.93   0.040% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.41 +/- 0.91   0.012% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  17.56 +/- 0.91   0.004% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 11.5:
          QG2   THR   77 - HN    THR   46   2.48 +/- 0.56  98.777% * 95.6481% (0.61   3.60  11.45) =  99.997%  kept
          HB3   ASP-  44 - HN    THR   46   6.05 +/- 0.26   0.921% *  0.1952% (0.22   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   46   8.84 +/- 1.39   0.232% *  0.3605% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.58 +/- 0.98   0.017% *  0.8294% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  10.17 +/- 1.19   0.049% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  16.92 +/- 1.79   0.002% *  0.5672% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  17.60 +/- 0.82   0.002% *  0.4964% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.40 +/- 0.58   0.000% *  0.7864% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  24.86 +/- 0.72   0.000% *  0.8462% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.934, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46   9.97 +/- 1.42  64.866% * 32.0586% (0.99   0.02   0.02) =  70.518%  kept
          QD1   ILE  119 - HN    THR   46  11.57 +/- 0.98  29.870% * 25.8997% (0.80   0.02   0.02) =  26.234%  kept
          HB2   LEU  104 - HN    THR   46  18.03 +/- 0.67   1.958% * 32.0586% (0.99   0.02   0.02) =   2.128%  kept
          HG3   LYS+ 112 - HN    THR   46  16.88 +/- 1.07   3.306% *  9.9831% (0.31   0.02   0.02) =   1.119%  kept
    Distance limit 4.57 A violated in 20 structures by 4.60 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   2.46 +/- 0.28  99.824% * 97.4005% (0.97   3.39  34.51) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.68 +/- 0.43   0.065% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    THR   46   9.76 +/- 0.91   0.038% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.36 +/- 1.44   0.063% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.87 +/- 0.39   0.004% *  0.4773% (0.80   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  14.33 +/- 0.67   0.003% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.37 +/- 0.98   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  15.46 +/- 0.84   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 1.66:
          QG1   VAL   75 - HN    THR   46   3.38 +/- 0.36  99.839% * 99.0127% (0.92   1.66   1.66) =  99.998%  kept
          QD1   LEU  115 - HN    THR   46  10.82 +/- 1.25   0.161% *  0.9873% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   4.35 +/- 0.50  98.248% * 94.1909% (0.65   3.30  27.13) =  99.990%  kept
          QB    SER   48 - HN    PHE   45  11.04 +/- 0.56   0.484% *  0.6747% (0.76   0.02   0.02) =   0.004%
          QB    SER   85 - HN    PHE   45  12.85 +/- 0.52   0.182% *  0.8520% (0.97   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    PHE   45  12.84 +/- 0.79   0.179% *  0.8150% (0.92   0.02   0.02) =   0.002%
          HD2   PRO   52 - HN    PHE   45  11.72 +/- 1.00   0.353% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    PHE   45  16.18 +/- 0.80   0.046% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  14.94 +/- 0.60   0.074% *  0.4297% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  13.34 +/- 0.63   0.145% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  12.74 +/- 0.71   0.206% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  16.03 +/- 0.75   0.047% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.57 +/- 1.23   0.022% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.61 +/- 0.58   0.014% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.13 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.68, residual support = 80.4:
      O   HB2   PHE   45 - HN    PHE   45   2.61 +/- 0.46  99.975% * 99.8561% (0.99  10.0   3.68  80.36) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  12.18 +/- 1.06   0.019% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.65 +/- 0.69   0.007% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.4:
      O   HB3   PHE   45 - HN    PHE   45   3.40 +/- 0.42  98.442% * 99.6079% (0.87  10.0   4.00  80.36) =  99.999%  kept
          HB    VAL  107 - HN    PHE   45   7.59 +/- 1.31   1.345% *  0.0515% (0.45   1.0   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HN    PHE   45  10.57 +/- 0.72   0.145% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  12.86 +/- 0.81   0.038% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  14.20 +/- 1.72   0.027% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  20.12 +/- 0.81   0.003% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.477, support = 4.02, residual support = 18.4:
          HB3   ASP-  44 - HN    PHE   45   3.44 +/- 0.30  84.270% * 68.1807% (0.49   4.10  18.87) =  94.812%  kept
          QG2   THR   77 - HN    PHE   45   4.92 +/- 0.65  11.501% * 27.2482% (0.31   2.59   9.46) =   5.171%  kept
          HB2   LEU   63 - HN    PHE   45   7.29 +/- 1.22   1.349% *  0.4142% (0.61   0.02   0.02) =   0.009%
          HB3   PRO   93 - HN    PHE   45   6.80 +/- 0.52   1.774% *  0.1054% (0.15   0.02   0.02) =   0.003%
          HB3   LEU   80 - HN    PHE   45  10.60 +/- 1.54   0.206% *  0.4959% (0.73   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    PHE   45   7.96 +/- 0.59   0.674% *  0.1196% (0.18   0.02   0.62) =   0.001%
          QB    ALA   88 - HN    PHE   45  11.12 +/- 0.72   0.084% *  0.4691% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  10.74 +/- 0.56   0.099% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.56 +/- 1.89   0.023% *  0.6305% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  16.10 +/- 0.71   0.010% *  0.5924% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  17.44 +/- 0.55   0.005% *  0.6815% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  21.79 +/- 0.70   0.002% *  0.6591% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  18.25 +/- 0.74   0.004% *  0.2330% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.84, support = 0.02, residual support = 8.12:
          QD1   ILE   89 - HN    PHE   45   5.72 +/- 0.92  79.872% * 30.6068% (0.80   0.02  10.18) =  76.689%  kept
          QG2   VAL   83 - HN    PHE   45   7.94 +/- 1.23  18.133% * 37.4664% (0.98   0.02   1.47) =  21.312%  kept
          QD2   LEU   31 - HN    PHE   45  10.82 +/- 0.49   1.995% * 31.9268% (0.84   0.02   0.02) =   1.998%  kept
    Distance limit 4.28 A violated in 16 structures by 1.17 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   3.19 +/- 0.40  99.845% * 98.4423% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.52 +/- 1.33   0.066% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  15.65 +/- 1.81   0.017% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  13.18 +/- 0.88   0.032% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  12.41 +/- 0.65   0.036% *  0.0651% (0.14   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  20.35 +/- 0.91   0.002% *  0.2918% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  20.71 +/- 0.70   0.002% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.17 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   4.73 +/- 0.23  99.964% * 77.1198% (0.87  1.00   0.75   8.20) =  99.989%  kept
        T HN    VAL   83 - HN    CYS   53  17.95 +/- 1.33   0.036% * 22.8802% (0.97 10.00   0.02   0.02) =   0.011%
    Distance limit 4.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 53.4:
      O   HA    PRO   52 - HN    CYS   53   3.47 +/- 0.03  99.889% * 99.8358% (0.61  10.0   7.18  53.44) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.76 +/- 1.57   0.111% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.78, residual support = 43.9:
      O   HA    CYS   53 - HN    CYS   53   2.73 +/- 0.04  99.996% * 99.7036% (0.90  10.0   4.78  43.91) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.78 +/- 1.28   0.003% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  22.28 +/- 1.40   0.000% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  25.87 +/- 1.29   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.61 +/- 1.24   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.91 +/- 2.02   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  27.72 +/- 0.98   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 = 53.0:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.03  98.473% * 60.8458% (0.34   8.20  53.44) =  99.116%  kept
          HA2   GLY   51 - HN    CYS   53   4.64 +/- 0.26   1.468% * 36.3692% (0.49   3.43   0.02) =   0.883%  kept
          QB    SER   48 - HN    CYS   53   8.35 +/- 0.52   0.044% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.58 +/- 1.03   0.012% *  0.2816% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  16.52 +/- 1.12   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  18.62 +/- 1.12   0.000% *  0.4018% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.95 +/- 1.10   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.31 +/- 0.95   0.000% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.63 +/- 1.86   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  21.84 +/- 0.93   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  26.81 +/- 1.70   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.87 +/- 1.00   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.964, support = 4.96, residual support = 44.3:
      O   HB2   CYS   53 - HN    CYS   53   2.77 +/- 0.47  80.637% * 84.8584% (0.98  10.0   4.92  43.91) =  96.017%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.02  19.005% * 14.9350% (0.57   1.0   6.09  53.44) =   3.983%  kept
          HD2   PRO   58 - HN    CYS   53   7.65 +/- 1.42   0.357% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.94 +/- 1.23   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  26.36 +/- 1.16   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  29.03 +/- 0.92   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 5.72, residual support = 43.9:
      O   HB3   CYS   53 - HN    CYS   53   2.59 +/- 0.65  91.327% * 99.5214% (0.97  10.0   5.72  43.91) =  99.990%  kept
          HD3   PRO   93 - HN    CYS   53   5.91 +/- 1.81   5.124% *  0.1029% (1.00   1.0   0.02   0.02) =   0.006%
          QB    PHE   55 - HN    CYS   53   5.29 +/- 0.28   2.425% *  0.0995% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   6.58 +/- 0.96   1.069% *  0.0952% (0.92   1.0   0.02  31.95) =   0.001%
          HB2   PHE   59 - HN    CYS   53  10.14 +/- 0.90   0.055% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  21.48 +/- 1.03   0.001% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   4.65 +/- 0.28  98.458% * 98.0457% (0.69   2.96   8.20) =  99.988%  kept
          HB3   ASP-  78 - HN    CYS   53  11.29 +/- 2.70   1.269% *  0.8064% (0.84   0.02   0.02) =   0.011%
          QE    LYS+  74 - HN    CYS   53  13.47 +/- 1.46   0.252% *  0.7010% (0.73   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  20.03 +/- 1.03   0.016% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  25.70 +/- 1.48   0.004% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.19 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 53.4:
          HG2   PRO   52 - HN    CYS   53   3.03 +/- 0.32  98.850% * 94.9819% (0.25   7.21  53.44) =  99.991%  kept
          HG2   MET   92 - HN    CYS   53   7.25 +/- 1.18   1.037% *  0.8080% (0.76   0.02   0.02) =   0.009%
          QG    GLU- 114 - HN    CYS   53  12.81 +/- 1.66   0.033% *  0.7263% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  15.16 +/- 1.84   0.014% *  0.6413% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  11.75 +/- 2.04   0.044% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   53  13.09 +/- 1.17   0.021% *  0.2636% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  20.04 +/- 1.02   0.002% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  26.27 +/- 1.59   0.000% *  0.3607% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  26.09 +/- 2.36   0.001% *  0.2354% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  33.50 +/- 3.22   0.000% *  0.8466% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.71 +/- 1.38   0.000% *  0.8080% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 7.13, residual support = 53.0:
          HG3   PRO   52 - HN    CYS   53   4.11 +/- 0.26  76.817% * 90.6426% (0.98   7.21  53.44) =  97.937%  kept
          HB2   ARG+  54 - HN    CYS   53   5.52 +/- 0.71  17.419% *  8.3814% (0.18   3.73  31.95) =   2.054%  kept
          HB2   PRO   93 - HN    CYS   53   7.82 +/- 1.64   4.985% *  0.1055% (0.41   0.02   0.02) =   0.007%
          HG2   PRO   58 - HN    CYS   53  10.05 +/- 1.28   0.691% *  0.2516% (0.98   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    CYS   53  13.60 +/- 1.71   0.086% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  29.51 +/- 2.85   0.001% *  0.2561% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.17 +/- 0.91   0.002% *  0.0714% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  37.57 +/- 4.22   0.000% *  0.2567% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.662, support = 7.17, residual support = 52.1:
      O   HB3   PRO   52 - HN    CYS   53   4.10 +/- 0.41  76.252% * 77.7283% (0.65  10.0   7.38  53.44) =  93.826%  kept
          HG2   ARG+  54 - HN    CYS   53   5.37 +/- 0.46  18.176% * 21.4510% (0.90   1.0   3.98  31.95) =   6.172%  kept
          HB    ILE   56 - HN    CYS   53   7.40 +/- 1.42   5.295% *  0.0238% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    CYS   53  12.59 +/- 1.94   0.143% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  14.07 +/- 1.32   0.066% *  0.0729% (0.61   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  14.79 +/- 1.03   0.042% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.39 +/- 1.08   0.008% *  0.1042% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.22 +/- 1.07   0.005% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.05 +/- 1.31   0.003% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  23.68 +/- 1.25   0.002% *  0.1137% (0.95   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.61 +/- 1.44   0.004% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.65 +/- 1.10   0.001% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  22.80 +/- 1.15   0.003% *  0.0300% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.76, residual support = 45.8:
        T HN    GLN   32 - HN    LEU   31   2.70 +/- 0.12  96.468% * 99.2679% (0.78 10.00   5.76  45.77) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.74 +/- 0.19   3.487% *  0.0183% (0.14  1.00   0.02   4.72) =   0.001%
          HN    THR   94 - HN    PHE   55  10.21 +/- 0.84   0.041% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  15.92 +/- 0.76   0.003% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  20.36 +/- 1.02   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  18.61 +/- 0.61   0.001% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  30.00 +/- 0.91   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  28.96 +/- 0.77   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 6.96, residual support = 48.0:
        T HN    GLN   30 - HN    LEU   31   2.43 +/- 0.06  96.677% * 81.1164% (0.53 10.00   7.00  48.33) =  99.235%  kept
          HN    GLU-  29 - HN    LEU   31   4.27 +/- 0.11   3.317% * 18.2222% (0.91  1.00   2.60   0.02) =   0.765%  kept
          HN    ASP-  86 - HN    LEU   31  14.50 +/- 0.80   0.002% *  0.0927% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  14.20 +/- 0.54   0.003% *  0.0398% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  27.54 +/- 0.94   0.000% *  0.3957% (0.26 10.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.49 +/- 0.97   0.000% *  0.0452% (0.29  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  21.40 +/- 1.36   0.000% *  0.0194% (0.13  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  28.87 +/- 0.92   0.000% *  0.0685% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.22, residual support = 20.2:
      O   HA    PHE   55 - HN    PHE   55   2.85 +/- 0.06  94.307% * 99.0930% (0.48  10.0   3.22  20.21) =  99.996%  kept
          HA    ALA  110 - HN    PHE   55   8.05 +/- 2.81   1.418% *  0.1465% (0.71   1.0   0.02   0.11) =   0.002%
          HA    TRP   27 - HN    LEU   31   4.86 +/- 0.30   4.224% *  0.0276% (0.13   1.0   0.02  20.75) =   0.001%
          HA    ALA   91 - HN    PHE   55  11.59 +/- 1.37   0.029% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  14.23 +/- 1.73   0.009% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  13.45 +/- 1.42   0.011% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.27 +/- 1.39   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.46 +/- 0.90   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  25.87 +/- 1.42   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  23.43 +/- 0.77   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  24.28 +/- 1.02   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  28.96 +/- 0.89   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 2.87, residual support = 20.2:
      O   QB    PHE   55 - HN    PHE   55   2.09 +/- 0.08  98.790% * 99.1124% (0.79  10.0   2.87  20.21) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.14 +/- 0.62   0.687% *  0.0867% (0.69   1.0   0.02   3.13) =   0.001%
          HB3   CYS   53 - HN    PHE   55   5.36 +/- 0.20   0.363% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   7.03 +/- 1.55   0.130% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.46 +/- 1.06   0.030% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.10 +/- 0.89   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  20.60 +/- 1.12   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.49 +/- 1.04   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  23.74 +/- 0.93   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  24.07 +/- 0.62   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.97 +/- 1.18   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  30.61 +/- 1.12   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 = 0.36, support = 3.55, residual support = 9.98:
      O   HA    ARG+  54 - HN    PHE   55   3.54 +/- 0.03  32.713% * 70.0379% (0.25  10.0   3.28   3.13) =  55.580%  kept
          HA    ASN   28 - HN    LEU   31   3.15 +/- 0.09  65.703% * 27.8668% (0.50   1.0   3.88  18.55) =  44.415%  kept
          HA    THR   26 - HN    LEU   31   6.41 +/- 0.29   0.965% *  0.1112% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.29 +/- 0.24   0.442% *  0.1659% (0.58   1.0   0.02   4.72) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.54 +/- 2.48   0.099% *  0.1715% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  10.86 +/- 1.25   0.065% *  0.1968% (0.69   1.0   0.02   7.58) =   0.000%
          HA    GLU- 114 - HN    PHE   55  13.86 +/- 1.17   0.011% *  0.2147% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  23.15 +/- 0.85   0.000% *  0.1491% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.71 +/- 1.35   0.000% *  0.1626% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.93 +/- 0.92   0.000% *  0.1895% (0.66   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.88 +/- 1.63   0.000% *  0.2264% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  28.89 +/- 0.71   0.000% *  0.2190% (0.77   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  28.48 +/- 1.11   0.000% *  0.1468% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.83 +/- 1.25   0.000% *  0.0505% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  26.08 +/- 1.77   0.000% *  0.0383% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  27.42 +/- 1.28   0.000% *  0.0531% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.14, residual support = 230.9:
      O   HA    LEU   31 - HN    LEU   31   2.79 +/- 0.04 100.000% * 99.9512% (0.60  10.0   7.14 230.90) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  27.09 +/- 0.84   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.481, support = 5.67, residual support = 40.2:
          HB2   GLN   30 - HN    LEU   31   3.40 +/- 0.31  56.418% * 33.7116% (0.48   6.00  48.33) =  67.480%  kept
          HB2   ARG+  54 - HN    PHE   55   3.67 +/- 0.24  34.544% * 14.7233% (0.39   3.27   3.13) =  18.045%  kept
          HG3   GLN   30 - HN    LEU   31   5.13 +/- 0.61   8.244% * 49.4816% (0.60   7.12  48.33) =  14.474%  kept
          HB2   PRO   93 - HN    PHE   55   8.11 +/- 1.38   0.589% *  0.0412% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.75 +/- 1.24   0.038% *  0.1048% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31   9.93 +/- 0.40   0.087% *  0.0433% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.81 +/- 1.39   0.017% *  0.1217% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.80 +/- 1.01   0.014% *  0.1483% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  12.83 +/- 1.19   0.022% *  0.0683% (0.29   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.26 +/- 1.64   0.014% *  0.1048% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.43 +/- 0.67   0.006% *  0.0683% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  20.14 +/- 1.35   0.001% *  0.1217% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  21.01 +/- 1.53   0.001% *  0.0794% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.63 +/- 1.23   0.000% *  0.1606% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  26.09 +/- 1.63   0.000% *  0.1835% (0.79   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.56 +/- 1.21   0.000% *  0.1123% (0.48   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  25.80 +/- 1.15   0.000% *  0.1483% (0.64   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  23.86 +/- 1.59   0.000% *  0.0901% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  21.59 +/- 0.65   0.001% *  0.0312% (0.13   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  26.68 +/- 0.97   0.000% *  0.0901% (0.39   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.86 +/- 1.69   0.000% *  0.0794% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  31.22 +/- 1.22   0.000% *  0.1606% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  29.39 +/- 0.95   0.000% *  0.0683% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  29.19 +/- 1.11   0.000% *  0.0572% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 230.9:
      O   HB2   LEU   31 - HN    LEU   31   2.45 +/- 0.15  99.370% * 98.5368% (0.78  10.0   7.14 230.90) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   6.89 +/- 1.13   0.560% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.47 +/- 1.12   0.020% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  11.92 +/- 0.85   0.009% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.21 +/- 1.62   0.009% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.74 +/- 0.82   0.006% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.64 +/- 0.63   0.004% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.35 +/- 0.75   0.007% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.33 +/- 0.88   0.004% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  15.54 +/- 0.57   0.002% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  14.31 +/- 0.86   0.003% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.87 +/- 1.14   0.002% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.87 +/- 1.24   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.57 +/- 1.99   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.26 +/- 1.79   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.57 +/- 1.19   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  22.04 +/- 0.62   0.000% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.07 +/- 1.19   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.17 +/- 0.83   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.88 +/- 1.40   0.001% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  28.08 +/- 2.37   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  28.25 +/- 0.97   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.47 +/- 1.02   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  33.13 +/- 0.97   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 230.9:
      O   HB3   LEU   31 - HN    LEU   31   3.52 +/- 0.04  98.259% * 99.4260% (0.83  10.0   7.14 230.90) = 100.000%  kept
          QG2   VAL  107 - HN    PHE   55   8.92 +/- 1.40   0.609% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.16 +/- 0.30   0.099% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LEU   31   8.95 +/- 0.45   0.388% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   9.31 +/- 1.28   0.562% *  0.0167% (0.14   1.0   0.02   3.43) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.35 +/- 1.07   0.063% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  18.90 +/- 1.19   0.004% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.98 +/- 0.96   0.006% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  23.09 +/- 1.67   0.001% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  22.81 +/- 1.85   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.43 +/- 1.00   0.003% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.49 +/- 1.55   0.003% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  27.81 +/- 0.97   0.000% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  30.57 +/- 1.51   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.633, support = 7.2, residual support = 221.0:
          HG    LEU   31 - HN    LEU   31   2.87 +/- 0.58  85.065% * 61.2955% (0.64   7.40 230.90) =  95.389%  kept
          QD1   ILE   56 - HN    PHE   55   4.90 +/- 1.06  10.275% * 19.6591% (0.45   3.37  19.80) =   3.695%  kept
          QD2   LEU   73 - HN    LEU   31   5.59 +/- 0.45   2.729% * 18.3178% (0.78   1.82   1.35) =   0.915%  kept
          QG1   VAL   41 - HN    LEU   31   6.10 +/- 0.61   1.925% *  0.0422% (0.16   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  20.17 +/- 1.11   0.001% *  0.2391% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  18.06 +/- 1.25   0.002% *  0.0983% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  21.72 +/- 1.89   0.001% *  0.1657% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  19.89 +/- 1.07   0.001% *  0.0808% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  26.02 +/- 1.02   0.000% *  0.0808% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  21.12 +/- 0.64   0.001% *  0.0206% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.09 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.89, residual support = 230.9:
          QD2   LEU   31 - HN    LEU   31   2.08 +/- 0.44  99.855% * 97.7479% (0.18   6.89 230.90) =  99.998%  kept
          QG2   VAL   43 - HN    LEU   31   7.70 +/- 1.27   0.143% *  1.4207% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   43 - HN    PHE   55  15.51 +/- 0.92   0.001% *  0.6930% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  20.93 +/- 0.84   0.000% *  0.1384% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.599, support = 1.34, residual support = 1.4:
          QD1   LEU   73 - HN    LEU   31   4.62 +/- 0.76  86.264% * 79.1279% (0.60   1.36   1.35) =  98.976%  kept
          QD2   LEU  115 - HN    PHE   55   7.52 +/- 0.94   6.116% *  9.8717% (0.43   0.24   7.58) =   0.875%  kept
          QD2   LEU   80 - HN    LEU   31   8.71 +/- 1.33   3.072% *  1.7412% (0.90   0.02   0.02) =   0.078%
          QG1   VAL   83 - HN    LEU   31   8.34 +/- 0.72   3.327% *  1.1672% (0.60   0.02   0.02) =   0.056%
          QD1   LEU   63 - HN    PHE   55  10.91 +/- 1.25   0.790% *  0.5694% (0.29   0.02   0.02) =   0.007%
          QD1   LEU  104 - HN    LEU   31  13.86 +/- 1.24   0.194% *  1.7883% (0.92   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU   31  14.77 +/- 0.77   0.114% *  1.1672% (0.60   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    PHE   55  18.07 +/- 1.04   0.035% *  0.8494% (0.44   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  21.52 +/- 1.37   0.012% *  1.7067% (0.88   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.55 +/- 1.39   0.031% *  0.5694% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  19.06 +/- 1.02   0.029% *  0.5694% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  20.44 +/- 1.00   0.016% *  0.8724% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 1 structures by 0.28 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.67, support = 7.77, residual support = 48.0:
          HB3   GLN   30 - HN    LEU   31   3.26 +/- 0.20  90.759% * 87.4839% (0.68   7.81  48.33) =  98.878%  kept
          HB    ILE   56 - HN    PHE   55   5.24 +/- 0.88   8.409% * 10.6986% (0.17   3.79  19.80) =   1.120%  kept
          HB2   MET   92 - HN    PHE   55   9.38 +/- 1.40   0.418% *  0.1305% (0.39   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   55   9.06 +/- 1.13   0.345% *  0.1475% (0.44   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LEU   31  13.42 +/- 0.41   0.020% *  0.1623% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.64 +/- 0.96   0.033% *  0.0476% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.63 +/- 1.67   0.010% *  0.1158% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  23.83 +/- 2.67   0.001% *  0.1747% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  23.94 +/- 1.01   0.001% *  0.2676% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.99 +/- 1.21   0.001% *  0.3024% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  17.65 +/- 0.91   0.004% *  0.0232% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  24.77 +/- 1.31   0.000% *  0.1158% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  25.72 +/- 1.01   0.000% *  0.1093% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  30.24 +/- 2.05   0.000% *  0.0565% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  32.51 +/- 0.87   0.000% *  0.0792% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  38.37 +/- 3.98   0.000% *  0.0852% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.553, support = 5.61, residual support = 39.8:
          HG2   GLN   30 - HN    LEU   31   5.01 +/- 0.25  44.659% * 75.2925% (0.49   7.21  48.33) =  71.384%  kept
          HB3   ASN   28 - HN    LEU   31   4.83 +/- 0.13  55.294% * 24.3777% (0.71   1.61  18.55) =  28.616%  kept
          QE    LYS+ 121 - HN    LEU   31  19.86 +/- 2.18   0.015% *  0.0537% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  17.48 +/- 1.30   0.028% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  26.50 +/- 1.10   0.002% *  0.1019% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.90 +/- 0.99   0.001% *  0.1480% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.47, residual support = 48.3:
      O   HA    GLN   30 - HN    LEU   31   3.56 +/- 0.02  87.472% * 98.9089% (0.64  10.0   6.47  48.33) =  99.996%  kept
          HB2   CYS   53 - HN    PHE   55   5.13 +/- 0.27  10.294% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.84 +/- 0.27   1.799% *  0.0537% (0.35   1.0   0.02   0.25) =   0.001%
          HB3   SER   37 - HN    LEU   31   9.96 +/- 0.44   0.189% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   31  10.65 +/- 0.57   0.129% *  0.1046% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  13.57 +/- 1.48   0.036% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  17.32 +/- 1.56   0.008% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  12.98 +/- 1.09   0.047% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.32 +/- 1.31   0.016% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  18.54 +/- 0.46   0.004% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.77 +/- 1.17   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  27.18 +/- 1.50   0.000% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  22.04 +/- 0.99   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  23.94 +/- 0.86   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  28.36 +/- 0.87   0.000% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  28.31 +/- 1.08   0.000% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  30.19 +/- 1.60   0.000% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  30.90 +/- 0.80   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 6.52, residual support = 170.2:
      O   HA    ARG+  54 - HN    ARG+  54   2.69 +/- 0.05  99.909% * 99.0002% (0.61  10.0   6.52 170.24) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  12.84 +/- 1.14   0.010% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62  10.10 +/- 0.82   0.042% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.08 +/- 1.09   0.025% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.10 +/- 1.13   0.002% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.55 +/- 0.75   0.004% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  16.73 +/- 1.27   0.002% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.62 +/- 1.18   0.002% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  26.30 +/- 0.99   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.89 +/- 0.68   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  21.15 +/- 0.77   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  28.98 +/- 0.64   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.53 +/- 1.31   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.43 +/- 1.77   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  29.44 +/- 1.84   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  18.64 +/- 0.84   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  27.47 +/- 1.22   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  21.86 +/- 0.94   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 85.3:
      O   HB2   TRP   49 - HN    TRP   49   2.92 +/- 0.41  99.965% * 99.6106% (0.98  10.0   4.00  85.29) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  12.82 +/- 1.16   0.021% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  14.21 +/- 1.81   0.013% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  21.00 +/- 1.12   0.001% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  21.88 +/- 1.07   0.001% *  0.1014% (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 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.9:
          QB    ALA   47 - HE1   TRP   49   3.03 +/- 1.01  99.961% * 98.5650% (1.00   2.55  14.90) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  15.57 +/- 1.02   0.014% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  16.66 +/- 1.98   0.010% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  15.33 +/- 1.02   0.015% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 3.76, residual support = 14.9:
          QB    ALA   47 - HN    TRP   49   2.88 +/- 0.28  99.987% * 99.0228% (1.00   3.76  14.90) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  16.05 +/- 0.79   0.004% *  0.5098% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  14.74 +/- 0.74   0.007% *  0.1045% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  18.32 +/- 1.29   0.002% *  0.3628% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.0521, residual support = 0.02:
          HB2   CYS   53 - HN    ALA   47   3.78 +/- 0.70  92.999% * 11.2830% (0.90   0.02   0.02) =  80.912%  kept
          HD3   PRO   52 - HN    ALA   47   7.25 +/- 1.00   3.964% * 54.7417% (0.41   0.21   0.02) =  16.732%  kept
          HD2   PRO   58 - HN    ALA   47   8.56 +/- 1.36   3.001% * 10.0740% (0.80   0.02   0.02) =   2.331%  kept
          HA    VAL   83 - HN    ALA   47  15.20 +/- 0.89   0.031% *  9.1356% (0.73   0.02   0.02) =   0.022%
          HA    GLN   30 - HN    ALA   47  21.80 +/- 1.00   0.004% *  6.1238% (0.49   0.02   0.02) =   0.002%
          HA    GLU- 100 - HN    ALA   47  25.86 +/- 0.56   0.001% *  8.6419% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 0 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.02, residual support = 37.7:
      O   HB2   ASP-  44 - HN    ASP-  44   2.72 +/- 0.35  98.081% * 99.4473% (0.87  10.0   3.02  37.71) =  99.998%  kept
          HB3   PHE   72 - HN    ASP-  44   5.85 +/- 0.55   1.868% *  0.0876% (0.76   1.0   0.02   0.02) =   0.002%
          QG    GLN   90 - HN    ASP-  44  12.61 +/- 1.44   0.014% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  11.78 +/- 0.93   0.020% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  14.64 +/- 1.13   0.006% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.66 +/- 1.40   0.004% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  15.08 +/- 1.06   0.006% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.64 +/- 1.85   0.000% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.47 +/- 1.01   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.828, support = 0.0199, residual support = 0.0199:
          HB2   LEU   73 - HN    ASP-  44   7.36 +/- 0.86  63.047% * 13.8924% (0.87   0.02   0.02) =  72.629%  kept
          QD    LYS+ 106 - HN    ASP-  44  11.22 +/- 1.49   7.924% * 15.6984% (0.98   0.02   0.02) =  10.315%  kept
          QG1   ILE   56 - HN    ASP-  44  10.36 +/- 1.05  10.815% *  9.7139% (0.61   0.02   0.02) =   8.712%  kept
          QD    LYS+  99 - HN    ASP-  44  13.81 +/- 0.66   1.595% * 15.8738% (0.99   0.02   0.02) =   2.100%  kept
          HB    ILE   89 - HN    ASP-  44  10.50 +/- 0.96   9.347% *  2.4711% (0.15   0.02   0.02) =   1.915%  kept
          HB3   MET   92 - HN    ASP-  44  13.69 +/- 0.60   1.685% * 11.6297% (0.73   0.02   0.02) =   1.625%  kept
          HB3   LYS+  99 - HN    ASP-  44  13.49 +/- 0.65   1.937% *  7.7956% (0.49   0.02   0.02) =   1.252%  kept
          HG3   PRO   93 - HN    ASP-  44  13.04 +/- 0.43   2.184% *  4.9432% (0.31   0.02   0.02) =   0.895%  kept
          QD    LYS+ 102 - HN    ASP-  44  15.75 +/- 1.23   0.836% *  2.8048% (0.18   0.02   0.02) =   0.194%
          HB2   LEU  123 - HN    ASP-  44  17.58 +/- 1.14   0.411% *  5.4630% (0.34   0.02   0.02) =   0.186%
          HD2   LYS+ 111 - HN    ASP-  44  19.34 +/- 1.02   0.219% *  9.7139% (0.61   0.02   0.02) =   0.176%
    Distance limit 4.47 A violated in 19 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.645, support = 0.02, residual support = 0.02:
          HB2   LYS+  74 - HN    ASP-  44   6.93 +/- 0.25  48.500% * 11.2006% (0.65   0.02   0.02) =  56.773%  kept
          HD3   LYS+  74 - HN    ASP-  44   7.46 +/- 0.91  34.940% *  4.8140% (0.28   0.02   0.02) =  17.579%  kept
          HG2   LYS+  65 - HN    ASP-  44   9.92 +/- 1.13   6.969% * 16.3785% (0.95   0.02   0.02) =  11.929%  kept
          QG2   THR   26 - HN    ASP-  44  10.18 +/- 0.52   5.231% * 15.5278% (0.90   0.02   0.02) =   8.489%  kept
          QD    LYS+  66 - HN    ASP-  44  12.63 +/- 0.71   1.351% * 15.5278% (0.90   0.02   0.02) =   2.192%  kept
          HD2   LYS+ 121 - HN    ASP-  44  14.09 +/- 1.36   0.837% * 16.9713% (0.98   0.02   0.02) =   1.484%  kept
          HB3   LYS+ 121 - HN    ASP-  44  13.81 +/- 1.27   0.992% *  7.1180% (0.41   0.02   0.02) =   0.738%  kept
          HG    LEU  104 - HN    ASP-  44  13.83 +/- 0.80   0.846% *  7.1180% (0.41   0.02   0.02) =   0.629%  kept
          HB3   LYS+ 111 - HN    ASP-  44  16.53 +/- 1.89   0.334% *  5.3440% (0.31   0.02   0.02) =   0.187%
    Distance limit 4.61 A violated in 19 structures by 1.50 A, eliminated.
    Peak unassigned.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.69, residual support = 37.7:
      O   HB3   ASP-  44 - HN    ASP-  44   3.53 +/- 0.28  94.902% * 99.1884% (0.99  10.0   3.70  37.71) =  99.995%  kept
          HB2   LEU   63 - HN    ASP-  44   6.75 +/- 1.32   3.783% *  0.0947% (0.95   1.0   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ASP-  44   8.79 +/- 0.75   0.520% *  0.0947% (0.95   1.0   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    ASP-  44   9.72 +/- 0.60   0.252% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  10.27 +/- 1.53   0.217% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ASP-  44  10.87 +/- 0.52   0.123% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  13.07 +/- 0.83   0.044% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.65 +/- 1.19   0.105% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  17.13 +/- 1.07   0.009% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  14.82 +/- 0.76   0.020% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  18.13 +/- 1.97   0.007% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.29 +/- 0.71   0.006% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.28 +/- 0.87   0.008% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.72 +/- 1.09   0.005% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.17, residual support = 15.2:
          QG1   VAL   43 - HN    ASP-  44   4.37 +/- 0.13  78.001% * 97.7623% (0.90   4.17  15.19) =  99.857%  kept
          QG2   VAL   18 - HN    ASP-  44   6.21 +/- 0.65  11.681% *  0.5212% (1.00   0.02   0.02) =   0.080%
          QG2   THR   46 - HN    ASP-  44   6.86 +/- 1.02   7.547% *  0.5178% (0.99   0.02   0.02) =   0.051%
          QG1   VAL   41 - HN    ASP-  44   8.39 +/- 0.44   1.699% *  0.3793% (0.73   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    ASP-  44  10.09 +/- 0.58   0.539% *  0.3992% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ASP-  44  12.75 +/- 1.06   0.155% *  0.3168% (0.61   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ASP-  44  11.00 +/- 1.08   0.377% *  0.1034% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.2:
          QG2   VAL   43 - HN    ASP-  44   3.44 +/- 0.39  97.069% * 99.0025% (0.65   3.71  15.19) =  99.991%  kept
          QD2   LEU   31 - HN    ASP-  44   8.18 +/- 0.63   0.695% *  0.6310% (0.76   0.02   0.02) =   0.005%
          QG2   VAL   83 - HN    ASP-  44   7.81 +/- 1.14   1.274% *  0.2548% (0.31   0.02   0.02) =   0.003%
          QD1   ILE   89 - HN    ASP-  44   7.94 +/- 1.08   0.962% *  0.1117% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.525, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.15 +/- 0.20  96.266% * 36.5033% (0.53   0.02   0.02) =  96.896%  kept
          HA    ASP-  78 - HN    VAL   43  16.21 +/- 0.56   1.578% * 42.0822% (0.61   0.02   0.02) =   1.831%  kept
          HA    THR   23 - HN    VAL   43  15.43 +/- 0.69   2.157% * 21.4145% (0.31   0.02   0.02) =   1.274%  kept
    Distance limit 4.51 A violated in 20 structures by 3.59 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   4.91 +/- 0.20 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.50 A violated in 0 structures by 0.41 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   2.99 +/- 0.33  99.402% * 97.4132% (0.97   2.96  16.41) =  99.997%  kept
          HB    VAL   70 - HN    VAL   43   7.65 +/- 0.56   0.448% *  0.6123% (0.90   0.02   0.02) =   0.003%
          QG    GLN   17 - HN    VAL   43  12.18 +/- 0.98   0.030% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    VAL   43  10.19 +/- 0.59   0.080% *  0.1898% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  12.62 +/- 0.57   0.022% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.34 +/- 0.83   0.015% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  17.37 +/- 0.58   0.003% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.25, residual support = 60.4:
      O   HB    VAL   43 - HN    VAL   43   3.24 +/- 0.32  99.783% * 99.7821% (0.87  10.0   4.25  60.42) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.36 +/- 0.59   0.111% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  11.08 +/- 1.15   0.083% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.08 +/- 0.74   0.008% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.55 +/- 0.90   0.015% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.783, support = 5.08, residual support = 35.0:
          HB    VAL   42 - HN    VAL   43   4.41 +/- 0.39  40.691% * 76.2570% (0.84   5.68  40.43) =  86.185%  kept
          HG    LEU   98 - HN    VAL   43   4.49 +/- 0.79  43.314% * 10.5071% (0.49   1.34   0.43) =  12.641%  kept
          HB3   ASP-  44 - HN    VAL   43   6.93 +/- 0.27   2.759% *  8.9161% (0.25   2.22  15.19) =   0.683%  kept
          QB    LEU   98 - HN    VAL   43   5.80 +/- 0.55   8.787% *  1.8890% (0.18   0.67   0.43) =   0.461%
          HB3   LEU   73 - HN    VAL   43   8.96 +/- 1.31   1.885% *  0.2883% (0.90   0.02   1.30) =   0.015%
          HG3   LYS+ 106 - HN    VAL   43   8.52 +/- 1.00   1.172% *  0.3208% (1.00   0.02   0.02) =   0.010%
          HB2   LEU   63 - HN    VAL   43   8.69 +/- 0.97   0.923% *  0.0563% (0.18   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    VAL   43  10.82 +/- 0.79   0.193% *  0.1950% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  12.96 +/- 0.83   0.066% *  0.2967% (0.92   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  12.58 +/- 0.60   0.078% *  0.2080% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.35 +/- 0.75   0.054% *  0.2457% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  13.57 +/- 0.84   0.049% *  0.2685% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.42 +/- 1.30   0.017% *  0.1206% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  19.56 +/- 0.90   0.005% *  0.3102% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.05 +/- 1.74   0.006% *  0.1206% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 5.19, residual support = 60.4:
          QG1   VAL   43 - HN    VAL   43   1.92 +/- 0.26  99.820% * 98.1928% (0.90   5.19  60.42) =  99.999%  kept
          QG1   VAL   41 - HN    VAL   43   6.21 +/- 0.36   0.120% *  0.3064% (0.73   0.02   2.00) =   0.000%
          QG2   VAL   18 - HN    VAL   43   8.65 +/- 0.66   0.025% *  0.4209% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43  10.17 +/- 0.98   0.007% *  0.4181% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.39 +/- 1.05   0.011% *  0.2559% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.72 +/- 0.65   0.006% *  0.3224% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.25 +/- 1.32   0.012% *  0.0835% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.705, support = 2.15, residual support = 1.84:
          QG2   VAL   41 - HN    VAL   43   4.19 +/- 0.70  40.265% * 88.8834% (0.73   2.36   2.00) =  89.629%  kept
          QD2   LEU   98 - HN    VAL   43   3.97 +/- 0.86  49.196% *  8.2813% (0.53   0.30   0.43) =  10.203%  kept
          QD2   LEU   63 - HN    VAL   43   6.44 +/- 0.96   3.464% *  1.0171% (0.98   0.02   0.02) =   0.088%
          QD1   LEU   63 - HN    VAL   43   6.43 +/- 0.82   3.561% *  0.4652% (0.45   0.02   0.02) =   0.041%
          QD1   LEU   73 - HN    VAL   43   7.28 +/- 0.87   2.908% *  0.4652% (0.45   0.02   1.30) =   0.034%
          QD1   LEU   80 - HN    VAL   43  10.56 +/- 1.52   0.194% *  0.5459% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43  10.26 +/- 1.41   0.332% *  0.1601% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   43  12.81 +/- 1.33   0.081% *  0.1817% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 40.4:
          QG1   VAL   42 - HN    VAL   43   3.11 +/- 0.37  98.979% * 99.2483% (0.97   5.15  40.43) =  99.999%  kept
          QB    ALA   64 - HN    VAL   43   6.97 +/- 0.48   0.998% *  0.0790% (0.20   0.02   0.02) =   0.001%
          QB    ALA   47 - HN    VAL   43  13.23 +/- 0.26   0.021% *  0.3984% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  19.51 +/- 1.56   0.002% *  0.2743% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.855, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.92 +/- 0.64  46.875% * 27.6841% (0.73   0.02   0.02) =  40.524%  kept
          QD1   ILE   89 - HN    VAL   43   7.56 +/- 1.16  30.715% * 34.1913% (0.90   0.02   0.02) =  32.796%  kept
          QG2   VAL   83 - HN    VAL   43   8.09 +/- 1.33  22.410% * 38.1246% (1.00   0.02   0.02) =  26.680%  kept
    Distance limit 3.99 A violated in 19 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.96, support = 5.32, residual support = 24.9:
          HB    VAL   41 - HN    VAL   42   4.13 +/- 0.41  88.730% * 93.0270% (0.97   5.35  25.02) =  99.499%  kept
          HB2   LEU   71 - HN    VAL   42   6.58 +/- 0.72   8.228% *  4.9777% (0.22   1.24   2.24) =   0.494%
          HG12  ILE  103 - HN    VAL   42   9.12 +/- 0.57   0.915% *  0.3605% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   42  10.17 +/- 0.70   0.502% *  0.3011% (0.84   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    VAL   42  11.39 +/- 0.69   0.241% *  0.1230% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  10.94 +/- 1.13   0.354% *  0.0802% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  10.92 +/- 0.46   0.304% *  0.0899% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  10.47 +/- 0.82   0.434% *  0.0556% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  16.17 +/- 1.80   0.056% *  0.3233% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.61 +/- 0.38   0.205% *  0.0713% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.93 +/- 0.64   0.022% *  0.2041% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  21.87 +/- 1.19   0.004% *  0.3233% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  22.72 +/- 1.03   0.004% *  0.0631% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.61, residual support = 89.4:
      O   HB    VAL   42 - HN    VAL   42   2.69 +/- 0.41  96.044% * 99.1706% (0.98  10.0   5.61  89.39) =  99.998%  kept
          QB    LEU   98 - HN    VAL   42   6.05 +/- 0.56   1.564% *  0.0573% (0.57   1.0   0.02   0.76) =   0.001%
          HB3   LEU   73 - HN    VAL   42   8.12 +/- 0.95   0.335% *  0.0957% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    VAL   42   5.83 +/- 0.86   1.862% *  0.0137% (0.14   1.0   0.02   0.76) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.75 +/- 1.02   0.055% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.31 +/- 1.00   0.039% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  12.25 +/- 0.81   0.015% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.59 +/- 0.61   0.034% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.56 +/- 0.72   0.009% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  12.97 +/- 2.50   0.018% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.69 +/- 0.70   0.009% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.15 +/- 1.73   0.002% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  13.97 +/- 1.18   0.009% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  15.42 +/- 0.57   0.004% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.55 +/- 0.98   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 0.986, residual support = 1.3:
          QD1   LEU   40 - HN    VAL   42   5.00 +/- 0.68  74.614% * 97.4174% (0.98   0.99   1.31) =  99.444%  kept
          QD2   LEU   67 - HN    VAL   42   6.68 +/- 1.21  25.193% *  1.6062% (0.80   0.02   0.02) =   0.554%  kept
          QG1   VAL  108 - HN    VAL   42  14.40 +/- 1.11   0.193% *  0.9764% (0.49   0.02   0.02) =   0.003%
    Distance limit 4.46 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 4.96, residual support = 31.7:
          QG1   VAL   41 - HN    VAL   42   4.12 +/- 0.20  54.397% * 48.7801% (0.73   5.35  25.02) =  56.418%  kept
          QG1   VAL   43 - HN    VAL   42   4.35 +/- 0.40  40.711% * 50.3263% (0.90   4.47  40.43) =  43.562%  kept
          QG2   VAL   18 - HN    VAL   42   7.12 +/- 0.75   2.627% *  0.2506% (1.00   0.02   0.02) =   0.014%
          QD1   ILE   19 - HN    VAL   42   8.46 +/- 0.85   0.825% *  0.1920% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   42   9.37 +/- 1.02   0.538% *  0.1524% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   9.49 +/- 1.61   0.786% *  0.0497% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.81 +/- 0.97   0.115% *  0.2490% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.723, support = 6.13, residual support = 24.9:
          QG2   VAL   41 - HN    VAL   42   2.93 +/- 0.50  88.611% * 94.7288% (0.73   6.15  25.02) =  99.608%  kept
          QD2   LEU   98 - HN    VAL   42   4.97 +/- 0.61   7.740% *  4.1127% (0.53   0.37   0.76) =   0.378%
          QD2   LEU   63 - HN    VAL   42   6.21 +/- 1.00   2.077% *  0.4156% (0.98   0.02   0.02) =   0.010%
          QD1   LEU   63 - HN    VAL   42   7.15 +/- 1.04   0.823% *  0.1901% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    VAL   42   7.07 +/- 0.97   0.664% *  0.1901% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  11.87 +/- 1.49   0.041% *  0.2231% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.66 +/- 1.48   0.034% *  0.0654% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  14.05 +/- 1.29   0.010% *  0.0742% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.07 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.47, residual support = 89.4:
          QG1   VAL   42 - HN    VAL   42   3.60 +/- 0.19  99.981% * 99.2627% (0.87   5.47  89.39) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.57 +/- 0.31   0.016% *  0.3198% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  21.35 +/- 1.46   0.003% *  0.4175% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.536, support = 4.83, residual support = 76.1:
          QG2   VAL   42 - HN    VAL   42   3.01 +/- 0.52  22.582% * 94.8287% (0.61   5.46  89.39) =  84.940%  kept
          QG2   VAL   70 - HN    VAL   42   2.25 +/- 0.67  77.246% *  4.9146% (0.14   1.27   1.45) =  15.058%  kept
          QG2   VAL   75 - HN    VAL   42   6.81 +/- 1.06   0.172% *  0.2567% (0.45   0.02   0.02) =   0.002%
    Distance limit 3.61 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 = 4.38, residual support = 74.0:
      O   HB    VAL   41 - HN    VAL   41   2.82 +/- 0.44  98.496% * 99.3523% (0.90  10.0   4.38  74.04) =  99.999%  kept
          HB2   LEU   71 - HN    VAL   41   6.91 +/- 0.76   0.778% *  0.0672% (0.61   1.0   0.02   0.97) =   0.001%
          HG12  ILE  103 - HN    VAL   41   7.68 +/- 0.41   0.383% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.32 +/- 0.96   0.297% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.60 +/- 0.76   0.019% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.12 +/- 0.50   0.009% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  17.37 +/- 2.02   0.004% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  13.70 +/- 1.28   0.012% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.42 +/- 0.72   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  24.93 +/- 1.20   0.000% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 3.89, residual support = 19.7:
          HG    LEU   40 - HN    VAL   41   3.34 +/- 0.67  98.422% * 81.0514% (0.18   3.89  19.69) =  99.966%  kept
          HB3   LEU   67 - HN    VAL   41   8.96 +/- 1.17   0.488% *  2.2526% (0.95   0.02   0.02) =   0.014%
          HG12  ILE   19 - HN    VAL   41  11.28 +/- 2.00   0.317% *  2.1356% (0.90   0.02   0.02) =   0.008%
          HG    LEU   73 - HN    VAL   41  10.47 +/- 1.04   0.196% *  1.4443% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 102 - HN    VAL   41   9.99 +/- 1.08   0.224% *  1.1591% (0.49   0.02   0.02) =   0.003%
          HD3   LYS+ 121 - HN    VAL   41  12.98 +/- 2.77   0.225% *  0.8123% (0.34   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   41  14.13 +/- 0.84   0.033% *  2.3760% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  13.80 +/- 1.16   0.033% *  1.9068% (0.80   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.60 +/- 1.53   0.012% *  2.2981% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.55 +/- 0.57   0.027% *  0.7350% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.60 +/- 0.98   0.006% *  2.2526% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  16.76 +/- 1.16   0.010% *  1.1591% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.69 +/- 1.11   0.008% *  0.4170% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.812, support = 1.46, residual support = 7.98:
          QB    ALA   34 - HN    VAL   41   4.66 +/- 0.36  65.887% * 73.5476% (0.90   1.45   9.22) =  86.258%  kept
          QG2   THR   39 - HN    VAL   41   5.29 +/- 0.38  33.027% * 23.3560% (0.28   1.49   0.21) =  13.731%  kept
          HG3   LYS+  38 - HN    VAL   41   9.70 +/- 0.85   0.932% *  0.5937% (0.53   0.02   0.02) =   0.010%
          QG2   ILE   56 - HN    VAL   41  16.42 +/- 1.66   0.044% *  0.8194% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  17.54 +/- 0.48   0.023% *  1.1184% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  14.76 +/- 0.83   0.070% *  0.2512% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.60 +/- 1.16   0.017% *  0.3137% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.61, residual support = 19.7:
          QD2   LEU   40 - HN    VAL   41   2.42 +/- 0.51  99.203% * 97.8002% (0.92   4.61  19.69) =  99.997%  kept
          QD1   LEU   67 - HN    VAL   41   7.95 +/- 1.81   0.276% *  0.4344% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    VAL   41   7.28 +/- 0.47   0.265% *  0.2971% (0.65   0.02   0.97) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.39 +/- 0.32   0.103% *  0.4552% (0.99   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    VAL   41   8.01 +/- 0.64   0.129% *  0.2416% (0.53   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  11.74 +/- 0.76   0.015% *  0.1567% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.22 +/- 0.87   0.003% *  0.4582% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  13.34 +/- 1.47   0.007% *  0.1567% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 74.0:
          QG1   VAL   41 - HN    VAL   41   2.72 +/- 0.41  97.388% * 98.1967% (1.00   4.51  74.04) =  99.993%  kept
          QG1   VAL   43 - HN    VAL   41   6.01 +/- 0.26   1.165% *  0.4119% (0.95   0.02   2.00) =   0.005%
          QD2   LEU  104 - HN    VAL   41   6.88 +/- 0.98   1.062% *  0.0862% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    VAL   41   8.25 +/- 1.09   0.172% *  0.1952% (0.45   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   9.60 +/- 1.73   0.104% *  0.2641% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  10.37 +/- 0.76   0.044% *  0.3328% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41   9.99 +/- 0.86   0.058% *  0.1344% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  15.11 +/- 0.99   0.005% *  0.2817% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  16.02 +/- 1.00   0.003% *  0.0969% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.702, support = 4.04, residual support = 68.2:
          QG2   VAL   41 - HN    VAL   41   3.59 +/- 0.52  64.162% * 79.0234% (0.73   4.38  74.04) =  88.169%  kept
          QD2   LEU   98 - HN    VAL   41   4.10 +/- 0.66  34.661% * 19.6181% (0.53   1.50  24.34) =  11.824%  kept
          QD2   LEU   63 - HN    VAL   41   8.43 +/- 0.91   0.466% *  0.4873% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    VAL   41   9.09 +/- 0.96   0.393% *  0.2229% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   41   9.65 +/- 1.06   0.260% *  0.2229% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.36 +/- 1.40   0.020% *  0.2616% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.87 +/- 1.44   0.027% *  0.0767% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  16.09 +/- 1.38   0.012% *  0.0871% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 2.73, residual support = 2.73:
          QG2   VAL   70 - HN    VAL   41   3.44 +/- 0.54  99.675% * 98.4523% (0.18   2.73   2.73) =  99.995%  kept
          QG2   THR  118 - HN    VAL   41  10.30 +/- 0.88   0.325% *  1.5477% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.81 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.364, support = 1.55, residual support = 31.9:
          HA    VAL   70 - HN    LEU   40   4.00 +/- 0.43  90.949% * 25.1935% (0.28   1.67  36.60) =  87.276%  kept
          HB2   SER   37 - HN    LEU   40   6.80 +/- 0.67   5.042% * 34.5265% (0.92   0.69   0.02) =   6.631%  kept
          HA1   GLY   16 - HN    LEU   40   7.72 +/- 2.04   4.002% * 39.9776% (0.98   0.75   0.02) =   6.093%  kept
          HA    GLN  116 - HN    LEU   40  20.12 +/- 1.24   0.007% *  0.3024% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 24.0:
          HB    THR   39 - HN    LEU   40   3.87 +/- 0.21  96.320% * 94.9797% (0.41   3.92  24.04) =  99.986%  kept
          HB3   SER   37 - HN    LEU   40   6.79 +/- 0.43   3.545% *  0.3276% (0.28   0.02   0.02) =   0.013%
          HA    GLN   30 - HN    LEU   40  12.51 +/- 0.71   0.095% *  1.1145% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.20 +/- 1.71   0.034% *  0.5282% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.67 +/- 1.82   0.002% *  0.9004% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  25.03 +/- 0.87   0.001% *  0.6670% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  22.43 +/- 0.90   0.003% *  0.3276% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  29.45 +/- 1.12   0.001% *  1.1549% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.556, support = 0.745, residual support = 12.2:
          QE    LYS+  99 - HN    LEU   40   4.21 +/- 0.59  94.439% * 52.9038% (0.57   0.74  12.70) =  96.243%  kept
          QE    LYS+  38 - HN    LEU   40   8.23 +/- 1.27   4.925% * 39.3679% (0.31   1.00   0.02) =   3.735%  kept
          HB2   PHE   97 - HN    LEU   40  10.96 +/- 0.52   0.360% *  2.4526% (0.97   0.02   0.73) =   0.017%
          HB3   TRP   27 - HN    LEU   40  16.10 +/- 0.74   0.039% *  2.4910% (0.98   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HN    LEU   40  14.80 +/- 0.90   0.063% *  1.4388% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  12.77 +/- 0.66   0.154% *  0.3921% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  17.87 +/- 1.35   0.020% *  0.9538% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.74, residual support = 100.9:
      O   HB2   LEU   40 - HN    LEU   40   2.41 +/- 0.30  99.985% * 99.7221% (0.97  10.0   4.74 100.86) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.98 +/- 0.40   0.004% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  14.84 +/- 1.48   0.003% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  12.32 +/- 1.18   0.008% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.90 +/- 2.20   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  29.18 +/- 0.87   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.618, support = 4.93, residual support = 100.9:
      O   HB3   LEU   40 - HN    LEU   40   2.55 +/- 0.34  91.904% * 68.9519% (0.61  10.0   4.89 100.86) =  96.327%  kept
          HG    LEU   40 - HN    LEU   40   4.18 +/- 0.29   7.928% * 30.4773% (0.92   1.0   5.81 100.86) =   3.673%  kept
          HG    LEU   67 - HN    LEU   40   9.89 +/- 1.61   0.060% *  0.1114% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   8.77 +/- 1.16   0.081% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.42 +/- 1.45   0.010% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  12.73 +/- 1.21   0.008% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.05 +/- 1.31   0.003% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.42 +/- 1.30   0.006% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  20.23 +/- 1.16   0.000% *  0.1049% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  21.03 +/- 1.10   0.000% *  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 = 0.293, support = 3.78, residual support = 23.5:
          QG2   THR   39 - HN    LEU   40   2.54 +/- 0.54  97.923% * 40.7552% (0.28   3.84  24.04) =  97.600%  kept
          QB    ALA   34 - HN    LEU   40   5.80 +/- 0.40   1.714% * 57.1478% (0.90   1.67   0.02) =   2.396%  kept
          HG3   LYS+  38 - HN    LEU   40   8.09 +/- 0.94   0.358% *  0.4020% (0.53   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    LEU   40  18.70 +/- 1.46   0.002% *  0.5549% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.52 +/- 0.53   0.001% *  0.7574% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  17.86 +/- 0.59   0.001% *  0.1701% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  22.02 +/- 1.22   0.000% *  0.2125% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.903, support = 1.09, residual support = 20.2:
          QG1   VAL   70 - HN    LEU   40   5.27 +/- 0.79  34.915% * 65.0805% (0.84   1.50  36.60) =  52.806%  kept
          QD1   LEU   71 - HN    LEU   40   4.66 +/- 0.89  63.567% * 31.9288% (0.98   0.63   1.80) =  47.167%  kept
          QG1   VAL   18 - HN    LEU   40   9.59 +/- 1.14   0.821% *  0.7544% (0.73   0.02   0.02) =   0.014%
          HB3   LEU  104 - HN    LEU   40  11.19 +/- 0.57   0.334% *  0.9590% (0.92   0.02   0.02) =   0.007%
          QD1   LEU  123 - HN    LEU   40  13.24 +/- 1.69   0.163% *  1.0183% (0.98   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU   40  12.70 +/- 1.23   0.200% *  0.2590% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 1 structures by 0.20 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.544, support = 4.8, residual support = 97.0:
          QD2   LEU   40 - HN    LEU   40   4.16 +/- 0.15  90.390% * 64.6411% (0.53   4.94 100.86) =  96.058%  kept
          QD2   LEU   71 - HN    LEU   40   6.46 +/- 0.53   7.135% * 33.4968% (0.98   1.37   1.80) =   3.929%  kept
          QD1   LEU   67 - HN    LEU   40   8.27 +/- 1.32   1.961% *  0.2818% (0.57   0.02   0.02) =   0.009%
          QD1   ILE  103 - HN    LEU   40  11.60 +/- 0.64   0.209% *  0.4595% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  11.60 +/- 0.39   0.204% *  0.3419% (0.69   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  13.95 +/- 1.41   0.080% *  0.3804% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.01 +/- 1.14   0.021% *  0.3986% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.19, residual support = 36.6:
          QG2   VAL   70 - HN    LEU   40   4.29 +/- 0.35 100.000% *100.0000% (0.57   6.19  36.60) = 100.000%  kept
    Distance limit 4.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.256, support = 1.61, residual support = 3.58:
          HA    ALA   34 - HN    THR   39   3.28 +/- 0.32  98.386% * 19.9236% (0.22   1.60   3.80) =  94.203%  kept
          HA    GLU-  36 - HN    THR   39   6.70 +/- 0.06   1.583% * 76.1981% (0.80   1.71   0.10) =   5.796%  kept
          HA    ASN   28 - HN    THR   39  13.26 +/- 0.41   0.025% *  0.4189% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  19.12 +/- 2.30   0.004% *  1.0770% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  24.36 +/- 0.56   0.001% *  1.0009% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.61 +/- 0.94   0.001% *  0.3807% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  30.07 +/- 0.99   0.000% *  1.0009% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.861, support = 2.75, residual support = 5.75:
          HA    SER   37 - HN    THR   39   4.18 +/- 0.11  83.290% * 51.9831% (0.90   2.67   2.74) =  85.846%  kept
          HA    LEU   40 - HN    THR   39   5.54 +/- 0.08  15.513% * 45.9921% (0.65   3.27  24.04) =  14.146%  kept
          HA    GLU-  15 - HN    THR   39   9.91 +/- 1.43   0.740% *  0.3633% (0.84   0.02   0.02) =   0.005%
          HA    GLN   17 - HN    THR   39  12.22 +/- 1.36   0.158% *  0.3901% (0.90   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  11.04 +/- 0.20   0.247% *  0.1484% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  15.24 +/- 1.88   0.048% *  0.3633% (0.84   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.11 +/- 0.41   0.003% *  0.4114% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.93 +/- 0.87   0.002% *  0.3483% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.405, support = 3.67, residual support = 36.9:
      O   HB    THR   39 - HN    THR   39   2.51 +/- 0.21  60.140% * 92.6236% (0.41  10.0   3.74  38.49) =  95.571%  kept
          HB3   SER   37 - HN    THR   39   2.78 +/- 0.45  39.838% *  6.4790% (0.28   1.0   2.07   2.74) =   4.428%  kept
          HA    GLN   30 - HN    THR   39   9.82 +/- 0.55   0.019% *  0.2131% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.29 +/- 1.96   0.003% *  0.1010% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.91 +/- 1.72   0.000% *  0.1722% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.86 +/- 0.67   0.000% *  0.0626% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  27.51 +/- 0.79   0.000% *  0.1276% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  31.75 +/- 1.28   0.000% *  0.2208% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.67, support = 3.56, residual support = 26.6:
          QG2   THR   39 - HN    THR   39   3.34 +/- 0.62  65.688% * 20.4415% (0.49   3.63  38.49) =  57.562%  kept
          QB    ALA   34 - HN    THR   39   3.96 +/- 0.26  28.176% * 23.1131% (1.00   2.00   3.80) =  27.918%  kept
          HG3   LYS+  38 - HN    THR   39   5.28 +/- 0.55   6.062% * 55.8720% (0.76   6.31  23.16) =  14.520%  kept
          HG13  ILE   19 - HN    THR   39  11.18 +/- 1.30   0.069% *  0.0458% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  18.35 +/- 0.59   0.003% *  0.2009% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  21.35 +/- 1.54   0.001% *  0.2138% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.66 +/- 0.93   0.001% *  0.1128% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.59, residual support = 221.9:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.01  99.290% * 99.7734% (0.80  10.0   6.59 221.86) =  99.999%  kept
          HA    GLU- 100 - HN    LYS+  38   5.69 +/- 1.03   0.710% *  0.0705% (0.57   1.0   0.02   0.02) =   0.001%
          HA    VAL   24 - HN    LYS+  38  18.17 +/- 0.38   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  20.80 +/- 1.41   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.93 +/- 0.67   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 5.95, residual support = 221.9:
      O   HB2   LYS+  38 - HN    LYS+  38   3.10 +/- 0.13  99.932% * 99.7624% (1.00  10.0   5.95 221.86) = 100.000%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.74 +/- 0.96   0.009% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.11 +/- 0.74   0.019% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.66 +/- 0.52   0.023% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  13.95 +/- 1.39   0.014% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  18.91 +/- 0.54   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  29.02 +/- 0.87   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 221.9:
      O   HB3   LYS+  38 - HN    LYS+  38   3.99 +/- 0.08  95.359% * 99.4497% (0.90  10.0   5.20 221.86) =  99.999%  kept
          QB    LYS+  33 - HN    LYS+  38   6.71 +/- 0.37   4.381% *  0.0219% (0.20   1.0   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    LYS+  38  11.03 +/- 0.82   0.238% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.85 +/- 0.71   0.012% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  22.24 +/- 2.77   0.004% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.89 +/- 1.13   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  28.15 +/- 1.23   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.16 +/- 0.78   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  29.40 +/- 0.75   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  28.75 +/- 1.46   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 221.9:
          HG2   LYS+  38 - HN    LYS+  38   3.30 +/- 0.30  99.480% * 98.4045% (0.65   5.86 221.86) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   9.04 +/- 1.03   0.368% *  0.2732% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38  10.07 +/- 0.42   0.144% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.13 +/- 0.99   0.002% *  0.4911% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  21.78 +/- 1.28   0.001% *  0.4911% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.61 +/- 0.59   0.004% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.59 +/- 2.55   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 27.5:
      O   HB3   SER   37 - HN    SER   37   2.58 +/- 0.20  98.318% * 99.5080% (0.99  10.0   3.71  27.54) =  99.998%  kept
          HB    THR   39 - HN    SER   37   5.20 +/- 0.25   1.587% *  0.0995% (0.99   1.0   0.02   2.74) =   0.002%
          HA    GLN   30 - HN    SER   37   8.55 +/- 0.48   0.085% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.25 +/- 2.18   0.010% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.64 +/- 1.63   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.69 +/- 0.98   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  25.20 +/- 0.58   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  33.53 +/- 1.42   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.51 +/- 0.22  99.212% * 98.3051% (1.00   3.72  18.94) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.78 +/- 1.36   0.669% *  0.0925% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.75 +/- 0.85   0.079% *  0.4584% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.44 +/- 1.05   0.038% *  0.2572% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  22.64 +/- 0.81   0.001% *  0.5238% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  29.20 +/- 0.90   0.000% *  0.3630% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.72, residual support = 18.4:
          HG2   LYS+  38 - HN    SER   37   4.83 +/- 0.17  98.842% * 97.4300% (0.38   4.72  18.42) =  99.996%  kept
          HG2   LYS+  99 - HN    SER   37  10.60 +/- 1.01   1.084% *  0.3058% (0.28   0.02   0.02) =   0.003%
          QG2   THR   77 - HN    SER   37  20.11 +/- 0.95   0.020% *  1.0902% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.68 +/- 0.67   0.043% *  0.3752% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  22.16 +/- 1.08   0.011% *  0.7987% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 6.05, residual support = 52.1:
          HB2   ASN   35 - HN    GLU-  36   3.52 +/- 0.13  86.770% * 97.9497% (0.65   6.05  52.11) =  99.932%  kept
          QE    LYS+  33 - HN    GLU-  36   5.50 +/- 1.10  13.163% *  0.4340% (0.87   0.02   0.02) =   0.067%
          HB2   ASN   28 - HN    GLU-  36  11.92 +/- 0.42   0.061% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  19.36 +/- 1.17   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  20.97 +/- 1.58   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.19 +/- 0.99   0.001% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 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   3.35 +/- 0.50  99.991% * 99.4351% (0.97   4.85  86.79) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.05 +/- 1.22   0.008% *  0.3400% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.73 +/- 0.73   0.001% *  0.1594% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.94 +/- 1.18   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.13 +/- 0.07  99.971% * 99.6951% (0.90  10.0   7.31  86.79) = 100.000%  kept
          HB3   GLU-  29 - HN    GLU-  36  10.05 +/- 0.77   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLU-  36  10.14 +/- 1.65   0.015% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.66 +/- 0.85   0.004% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  21.99 +/- 0.82   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  18.22 +/- 0.41   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  28.68 +/- 0.97   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.94 +/- 0.39  98.886% * 97.3233% (0.65   4.85  86.79) =  99.997%  kept
          QG    GLU-  15 - HN    GLU-  36  10.32 +/- 1.83   0.805% *  0.2780% (0.45   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLU-  36  11.98 +/- 0.99   0.157% *  0.1546% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  13.61 +/- 1.90   0.120% *  0.1914% (0.31   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  19.02 +/- 2.57   0.013% *  0.5561% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.01 +/- 0.63   0.009% *  0.2115% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  21.87 +/- 1.22   0.004% *  0.3018% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.64 +/- 1.21   0.002% *  0.3510% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  23.92 +/- 1.16   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.60 +/- 1.33   0.001% *  0.4011% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.40 +/- 1.80   0.000% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.242, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   7.09 +/- 2.17  95.320% * 14.8773% (0.20   0.02   0.02) =  87.684%  kept
          HB2   TRP   27 - HD22  ASN   35  14.39 +/- 1.53   4.599% * 42.5614% (0.57   0.02   0.02) =  12.103%  kept
          HD2   PRO   93 - HD22  ASN   35  27.22 +/- 1.31   0.081% * 42.5614% (0.57   0.02   0.02) =   0.213%
    Distance limit 4.78 A violated in 15 structures by 2.41 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.6, residual support = 55.4:
      O   HB2   ASN   35 - HD22  ASN   35   3.76 +/- 0.25  99.170% * 99.5004% (0.76  10.0   3.60  55.44) =  99.999%  kept
          QE    LYS+  33 - HD22  ASN   35  10.06 +/- 1.34   0.607% *  0.0995% (0.76   1.0   0.02   1.15) =   0.001%
          HB2   ASN   28 - HD22  ASN   35  11.51 +/- 1.38   0.194% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  16.27 +/- 2.24   0.025% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  23.25 +/- 1.50   0.002% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.21 +/- 1.84   0.001% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.763, support = 1.61, residual support = 6.23:
          HA    GLN   32 - HD21  ASN   35   3.34 +/- 0.66  97.832% * 55.5127% (0.76   1.62   6.30) =  98.735%  kept
          HA    LYS+  33 - HD21  ASN   35   6.69 +/- 0.67   1.760% * 39.3529% (0.69   1.27   1.15) =   1.259%  kept
          HA    GLU-  29 - HD21  ASN   35   8.71 +/- 0.82   0.360% *  0.7513% (0.83   0.02   0.02) =   0.005%
          HA    VAL   70 - HD21  ASN   35  14.08 +/- 1.40   0.029% *  0.3376% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  15.93 +/- 1.54   0.011% *  0.7802% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  20.24 +/- 2.28   0.005% *  0.8303% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  22.24 +/- 1.79   0.002% *  0.7202% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  28.19 +/- 1.73   0.000% *  0.8680% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.40 +/- 1.36   0.000% *  0.3376% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  30.94 +/- 1.66   0.000% *  0.5092% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 55.4:
      O   HB2   ASN   35 - HD21  ASN   35   2.78 +/- 0.53  99.268% * 99.3188% (0.61  10.0   3.60  55.44) =  99.999%  kept
          QE    LYS+  33 - HD21  ASN   35   8.82 +/- 1.44   0.643% *  0.1469% (0.90   1.0   0.02   1.15) =   0.001%
          HB2   ASN   28 - HD21  ASN   35  10.44 +/- 1.04   0.082% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  16.25 +/- 1.85   0.006% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  22.59 +/- 1.53   0.001% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.52 +/- 1.61   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 4.23, residual support = 44.6:
      O   HA    GLN   32 - HN    GLN   32   2.76 +/- 0.04  80.395% * 76.8941% (0.65  10.0   4.24  44.94) =  99.109%  kept
          HA    LYS+  33 - HN    GLN   32   5.20 +/- 0.10   1.818% * 21.6011% (0.80   1.0   4.54  12.61) =   0.630%  kept
          HA    GLU-  29 - HN    GLN   32   3.56 +/- 0.15  17.773% *  0.9185% (0.92   1.0   0.17   0.02) =   0.262%
          HA    VAL   18 - HN    GLN   32  13.32 +/- 0.63   0.007% *  0.1124% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  14.13 +/- 0.75   0.005% *  0.0579% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  16.54 +/- 1.47   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  20.70 +/- 0.74   0.000% *  0.0816% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.65 +/- 1.18   0.000% *  0.1066% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  28.14 +/- 1.14   0.000% *  0.0579% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.40 +/- 1.22   0.000% *  0.0533% (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 = 5.63, residual support = 152.3:
      O   HA    LYS+  33 - HN    LYS+  33   2.84 +/- 0.02  95.029% * 99.4322% (0.87  10.0   5.63 152.35) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   4.89 +/- 0.59   4.748% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   8.32 +/- 0.67   0.179% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  12.65 +/- 0.80   0.013% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  11.96 +/- 0.70   0.018% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  13.43 +/- 1.45   0.010% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.37 +/- 1.31   0.001% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.74 +/- 1.08   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.26 +/- 1.12   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 = 0.454, support = 3.52, residual support = 20.8:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.01  27.239% * 72.6628% (0.18  10.0   5.09  33.08) =  61.376%  kept
          HA    THR   26 - HN    GLU-  29   3.19 +/- 0.13  60.913% * 19.0678% (0.95   1.0   0.97   1.39) =  36.017%  kept
          HA    GLU-  25 - HN    GLU-  29   4.27 +/- 0.29  11.782% *  7.1333% (0.22   1.0   1.54   0.02) =   2.606%  kept
          HA    ALA   34 - HN    GLU-  29  11.04 +/- 0.40   0.036% *  0.1281% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.13 +/- 0.70   0.021% *  0.1706% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.45 +/- 2.49   0.009% *  0.2020% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  25.65 +/- 1.07   0.000% *  0.2850% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.75 +/- 1.23   0.000% *  0.2684% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.94 +/- 0.82   0.000% *  0.0821% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 94.4:
      O   HB2   ASN   28 - HD22  ASN   28   3.40 +/- 0.09  99.375% * 99.6000% (0.95  10.0   3.86  94.44) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.94 +/- 1.02   0.402% *  0.0996% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  10.71 +/- 1.40   0.143% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  12.02 +/- 1.26   0.066% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  18.96 +/- 1.71   0.004% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  15.95 +/- 1.04   0.010% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.92, residual support = 153.2:
      O   HG2   GLN   30 - HE21  GLN   30   3.85 +/- 0.23  99.514% * 99.8337% (0.61  10.0   3.92 153.17) =  99.999%  kept
          HB3   ASN   28 - HE21  GLN   30  10.07 +/- 1.32   0.473% *  0.1375% (0.84   1.0   0.02   8.50) =   0.001%
          QE    LYS+ 121 - HE21  GLN   30  18.86 +/- 2.60   0.013% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 153.2:
      O   HG2   GLN   30 - HE22  GLN   30   2.97 +/- 0.46  99.771% * 99.8337% (0.61  10.0   4.02 153.17) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   8.77 +/- 1.15   0.225% *  0.1375% (0.84   1.0   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  18.86 +/- 2.50   0.004% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.6, residual support = 94.4:
      O   HB3   ASN   28 - HD22  ASN   28   3.11 +/- 0.13  99.479% * 99.7665% (0.90  10.0   3.60  94.44) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   7.63 +/- 0.49   0.519% *  0.1110% (1.00   1.0   0.02   8.50) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  21.08 +/- 1.96   0.001% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.53 +/- 1.72   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.3, residual support = 11.3:
          QG2   VAL   24 - HD22  ASN   28   3.38 +/- 0.37  99.988% * 97.3772% (0.97   1.30  11.28) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  19.00 +/- 1.29   0.005% *  1.3453% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.84 +/- 1.05   0.006% *  0.5821% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  29.07 +/- 1.33   0.000% *  0.6953% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.79, residual support = 91.0:
      O   HA    GLU-  29 - HN    GLU-  29   2.71 +/- 0.01  99.716% * 99.3483% (0.84  10.0   5.79  91.03) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.09 +/- 0.54   0.075% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.77 +/- 0.32   0.185% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.86 +/- 1.30   0.011% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  13.69 +/- 0.56   0.006% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.81 +/- 0.62   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.60 +/- 0.86   0.004% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.25 +/- 0.79   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.77 +/- 1.23   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  29.06 +/- 1.13   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.82, residual support = 33.1:
          HB2   ASN   28 - HN    GLU-  29   2.25 +/- 0.10  99.903% * 98.6649% (0.97   5.82  33.08) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   8.45 +/- 1.87   0.086% *  0.3149% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  11.16 +/- 0.98   0.008% *  0.2130% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.13 +/- 1.08   0.003% *  0.3242% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  19.50 +/- 2.03   0.000% *  0.3512% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.12 +/- 1.06   0.000% *  0.1318% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.662, support = 5.67, residual support = 32.2:
          HB3   ASN   28 - HN    GLU-  29   3.59 +/- 0.16  93.722% * 48.2901% (0.65   5.75  33.08) =  93.360%  kept
          HG2   GLN   30 - HN    GLU-  29   5.77 +/- 0.38   6.275% * 51.2962% (0.87   4.55  19.27) =   6.640%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.17 +/- 2.12   0.002% *  0.2457% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  24.17 +/- 1.51   0.001% *  0.1680% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.22, residual support = 91.0:
          HG2   GLU-  29 - HN    GLU-  29   3.30 +/- 0.57  97.521% * 97.6838% (0.57   5.22  91.03) =  99.995%  kept
          QG    GLN   32 - HN    GLU-  29   7.17 +/- 0.61   2.424% *  0.1836% (0.28   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    GLU-  29  12.85 +/- 1.14   0.046% *  0.2715% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  17.21 +/- 0.72   0.007% *  0.6547% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.89 +/- 1.08   0.001% *  0.5517% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  29.13 +/- 1.92   0.000% *  0.6547% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.613, support = 3.58, residual support = 7.33:
          HA    ASN   28 - HN    GLN   30   3.78 +/- 0.10  53.307% * 57.0733% (0.45   4.56   8.50) =  68.069%  kept
          HA    THR   26 - HN    GLN   30   4.10 +/- 0.35  34.930% * 40.8440% (0.97   1.51   4.82) =  31.920%  kept
          HA1   GLY  101 - HN    LYS+  99   5.04 +/- 0.51  10.953% *  0.0307% (0.05   0.02   1.41) =   0.008%
          HA    ALA   34 - HN    GLN   30   8.64 +/- 0.42   0.391% *  0.3615% (0.65   0.02   1.28) =   0.003%
          HA1   GLY  101 - HN    GLN   30  13.87 +/- 2.49   0.053% *  0.4667% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.02 +/- 0.60   0.168% *  0.0862% (0.15   0.02  15.05) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.29 +/- 0.86   0.155% *  0.0237% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.51 +/- 1.27   0.019% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  26.92 +/- 1.29   0.000% *  0.5286% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  24.06 +/- 0.85   0.001% *  0.2720% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  17.38 +/- 1.15   0.006% *  0.0347% (0.06   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  24.38 +/- 1.07   0.001% *  0.1906% (0.34   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.80 +/- 0.95   0.007% *  0.0179% (0.03   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.31 +/- 0.88   0.003% *  0.0354% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  17.96 +/- 0.77   0.005% *  0.0057% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  23.17 +/- 0.95   0.001% *  0.0125% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 5.44, residual support = 19.3:
      O   HA    GLU-  29 - HN    GLN   30   3.50 +/- 0.01  96.535% * 99.3278% (1.00  10.0   5.44  19.27) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.43 +/- 0.35   1.114% *  0.0976% (0.98   1.0   0.02   0.29) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.87 +/- 0.15   1.723% *  0.0374% (0.38   1.0   0.02   1.21) =   0.001%
          HA    VAL   18 - HN    GLN   30  11.20 +/- 0.59   0.097% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  14.03 +/- 1.28   0.028% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  14.11 +/- 0.63   0.024% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99   9.49 +/- 0.64   0.264% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  12.27 +/- 0.79   0.058% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.41 +/- 0.96   0.022% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.45 +/- 0.54   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.28 +/- 1.20   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  14.78 +/- 0.80   0.018% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.01 +/- 1.31   0.047% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.94 +/- 1.23   0.009% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.71 +/- 0.59   0.044% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.95 +/- 1.16   0.000% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.29 +/- 1.25   0.004% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.67 +/- 1.29   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.49 +/- 1.96   0.002% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  19.93 +/- 1.85   0.003% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.88 +/- 0.79   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  26.18 +/- 0.97   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.23, residual support = 153.2:
      O   HA    GLN   30 - HN    GLN   30   2.84 +/- 0.01  99.855% * 99.5516% (0.92  10.0   6.23 153.17) = 100.000%  kept
          HB3   SER   37 - HN    GLN   30  10.97 +/- 0.54   0.031% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.24 +/- 1.31   0.012% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   30  11.78 +/- 0.57   0.020% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  16.62 +/- 1.59   0.003% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99  10.20 +/- 0.62   0.050% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.09 +/- 0.83   0.018% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.89 +/- 1.15   0.006% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.21 +/- 0.55   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  23.75 +/- 0.94   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.07 +/- 1.50   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.18 +/- 2.15   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  18.15 +/- 1.35   0.002% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.51 +/- 1.67   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  24.22 +/- 0.97   0.000% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  27.45 +/- 1.18   0.000% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.993, support = 6.85, residual support = 147.0:
          HG2   GLN   30 - HN    GLN   30   3.52 +/- 0.27  89.699% * 71.1547% (1.00   7.02 153.17) =  95.732%  kept
          HB3   ASN   28 - HN    GLN   30   5.12 +/- 0.07   9.955% * 28.5815% (0.90   3.14   8.50) =   4.268%  kept
          QE    LYS+ 121 - HN    LYS+  99  10.74 +/- 2.14   0.241% *  0.0097% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  13.46 +/- 2.40   0.076% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.16 +/- 2.22   0.003% *  0.1476% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.86 +/- 1.05   0.012% *  0.0133% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.18 +/- 1.49   0.012% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.66 +/- 1.49   0.002% *  0.0763% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.42, residual support = 153.2:
      O   HB3   GLN   30 - HN    GLN   30   2.61 +/- 0.59  93.886% * 98.7410% (0.69  10.0   6.42 153.17) =  99.994%  kept
          QB    LYS+  33 - HN    GLN   30   5.06 +/- 0.62   4.837% *  0.1044% (0.73   1.0   0.02   0.29) =   0.005%
          HB    ILE  103 - HN    LYS+  99   6.23 +/- 0.32   0.934% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.23 +/- 0.61   0.105% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.87 +/- 0.63   0.121% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.59 +/- 0.40   0.071% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.22 +/- 0.35   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.55 +/- 0.59   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  17.22 +/- 1.16   0.002% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.26 +/- 1.46   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.13 +/- 0.88   0.011% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  20.50 +/- 1.25   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.04 +/- 1.26   0.010% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  22.00 +/- 2.00   0.001% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.79 +/- 0.91   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  25.12 +/- 1.39   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  14.73 +/- 2.38   0.006% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  24.42 +/- 1.05   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.87 +/- 1.36   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  28.59 +/- 1.50   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.47 +/- 1.18   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  21.50 +/- 1.16   0.001% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  22.55 +/- 1.52   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  22.05 +/- 0.82   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.47 +/- 1.08   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  28.21 +/- 1.04   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.81, support = 5.33, residual support = 45.3:
          HG    LEU   31 - HN    GLN   30   4.73 +/- 0.76  52.601% * 86.1436% (0.80   5.69  48.33) =  92.679%  kept
          QD2   LEU   73 - HN    GLN   30   5.35 +/- 0.61  27.322% * 13.0832% (0.92   0.75   6.97) =   7.311%  kept
          QG1   VAL   41 - HN    GLN   30   7.51 +/- 0.60   3.661% *  0.0942% (0.25   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    LYS+  99   6.01 +/- 0.78  15.104% *  0.0062% (0.02   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    LYS+  99  11.75 +/- 2.13   0.545% *  0.0199% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+  99  11.48 +/- 1.21   0.289% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.21 +/- 1.68   0.443% *  0.0141% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  20.55 +/- 1.17   0.008% *  0.3771% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.22 +/- 1.90   0.004% *  0.2140% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.99 +/- 1.13   0.024% *  0.0248% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.82:
          QG2   THR   26 - HN    GLN   30   4.20 +/- 0.26  93.489% * 94.2903% (0.73   2.00   4.82) =  99.992%  kept
          HB3   LEU   40 - HN    LYS+  99   7.32 +/- 0.81   5.837% *  0.0619% (0.05   0.02  12.70) =   0.004%
          HB2   LYS+  74 - HN    GLN   30  11.86 +/- 0.90   0.228% *  1.2283% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    GLN   30  14.96 +/- 0.57   0.051% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+  65 - HN    GLN   30  18.19 +/- 1.96   0.018% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  12.87 +/- 2.02   0.209% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.73 +/- 2.09   0.004% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.76 +/- 1.31   0.061% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.14 +/- 1.10   0.004% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.61 +/- 1.13   0.008% *  0.2891% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.84 +/- 0.58   0.036% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  26.05 +/- 1.12   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.46 +/- 0.63   0.014% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  19.35 +/- 0.85   0.011% *  0.0552% (0.04   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.67 +/- 1.10   0.010% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.38 +/- 1.12   0.021% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.403, support = 6.28, residual support = 153.2:
      O   HB2   GLN   30 - HN    GLN   30   2.85 +/- 0.64  78.566% * 87.5392% (0.41  10.0   6.29 153.17) =  96.765%  kept
          HG3   GLN   30 - HN    GLN   30   3.91 +/- 0.35  20.346% * 11.2999% (0.18   1.0   6.06 153.17) =   3.235%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.40 +/- 0.37   1.041% *  0.0048% (0.02   1.0   0.02  39.76) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  14.77 +/- 1.76   0.010% *  0.1120% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.90 +/- 1.42   0.005% *  0.0726% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  22.18 +/- 0.73   0.001% *  0.2055% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  22.18 +/- 1.70   0.001% *  0.1377% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.98 +/- 1.34   0.014% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  22.94 +/- 2.94   0.001% *  0.1206% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.80 +/- 0.46   0.004% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  18.35 +/- 0.75   0.002% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.74 +/- 0.84   0.000% *  0.0955% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  25.36 +/- 1.22   0.000% *  0.0875% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.57 +/- 2.07   0.000% *  0.0955% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  29.22 +/- 1.09   0.000% *  0.1546% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.40 +/- 1.24   0.006% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.75 +/- 1.55   0.002% *  0.0058% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.30 +/- 1.32   0.001% *  0.0074% (0.03   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.08 +/- 1.08   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  26.03 +/- 1.69   0.000% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  28.56 +/- 0.70   0.000% *  0.0102% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  29.62 +/- 2.38   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.923, support = 4.84, residual support = 19.3:
          HB3   GLU-  29 - HN    GLN   30   3.81 +/- 0.32  73.203% * 43.5881% (0.90   4.59  19.27) =  68.627%  kept
          HG3   GLU-  29 - HN    GLN   30   4.79 +/- 0.83  26.154% * 55.7701% (0.98   5.38  19.27) =  31.372%  kept
          QB    GLU-  36 - HN    GLN   30   9.11 +/- 0.40   0.388% *  0.1283% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  13.39 +/- 0.89   0.039% *  0.1113% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.76 +/- 0.36   0.020% *  0.1283% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.67 +/- 0.61   0.144% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  22.01 +/- 1.37   0.002% *  0.2097% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.53 +/- 0.70   0.037% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.51 +/- 1.25   0.006% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.63 +/- 1.24   0.004% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  23.05 +/- 1.36   0.002% *  0.0138% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.31 +/- 1.15   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.05, residual support = 91.0:
      O   HB2   GLU-  29 - HN    GLU-  29   2.40 +/- 0.45  99.990% * 99.4303% (0.76  10.0   5.05  91.03) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.00 +/- 0.69   0.003% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.55 +/- 1.00   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.92 +/- 1.49   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  23.63 +/- 1.19   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  18.04 +/- 1.76   0.001% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  26.29 +/- 1.61   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.59 +/- 0.97   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.751, support = 5.27, residual support = 91.0:
      O   HB3   GLU-  29 - HN    GLU-  29   3.24 +/- 0.46  47.418% * 68.0978% (0.65  10.0   4.80  91.03) =  67.187%  kept
          HG3   GLU-  29 - HN    GLU-  29   3.25 +/- 0.36  49.837% * 31.6436% (0.97   1.0   6.23  91.03) =  32.813%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.39 +/- 0.48   2.690% *  0.0142% (0.14   1.0   0.02   0.02) =   0.001%
          QB    GLU-  36 - HN    GLU-  29  10.39 +/- 0.50   0.043% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  13.44 +/- 0.98   0.009% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.76 +/- 0.38   0.002% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  22.05 +/- 1.40   0.001% *  0.0879% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.963, support = 2.99, residual support = 153.2:
      O   HG3   GLN   30 - HE21  GLN   30   3.97 +/- 0.21  47.211% * 85.7149% (0.99  10.0   2.82 153.17) =  84.988%  kept
          HB2   GLN   30 - HE21  GLN   30   3.93 +/- 0.68  51.812% * 13.7957% (0.80   1.0   3.98 153.17) =  15.012%  kept
          QB    GLU-  15 - HE21  GLN   30   9.10 +/- 2.08   0.545% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  10.34 +/- 1.65   0.191% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.01 +/- 2.18   0.191% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  14.92 +/- 2.57   0.027% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.28 +/- 2.22   0.017% *  0.0750% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  22.11 +/- 2.10   0.002% *  0.0692% (0.80   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  21.80 +/- 1.29   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  20.85 +/- 1.35   0.002% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  27.32 +/- 1.71   0.000% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  27.40 +/- 1.36   0.000% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.367, support = 2.13, residual support = 15.1:
          QD1   ILE   19 - HE21  GLN   30   3.53 +/- 1.22  64.588% * 68.7631% (0.41   2.13  15.05) =  81.448%  kept
          QG2   ILE   19 - HE21  GLN   30   3.88 +/- 0.44  35.239% * 28.7026% (0.18   2.09  15.05) =  18.549%  kept
          QD1   LEU   98 - HE21  GLN   30  10.82 +/- 1.24   0.107% *  1.4053% (0.90   0.02   0.02) =   0.003%
          QD2   LEU  104 - HE21  GLN   30  15.05 +/- 1.96   0.017% *  0.8872% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  13.58 +/- 1.72   0.050% *  0.2418% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.333, support = 2.17, residual support = 15.1:
          QD1   ILE   19 - HE22  GLN   30   4.10 +/- 0.85  47.639% * 67.2200% (0.41   2.13  15.05) =  67.014%  kept
          QG2   ILE   19 - HE22  GLN   30   3.96 +/- 0.41  52.006% * 30.3019% (0.18   2.26  15.05) =  32.978%  kept
          QD1   LEU   98 - HE22  GLN   30  10.21 +/- 1.20   0.258% *  1.3742% (0.90   0.02   0.02) =   0.007%
          QD2   LEU  104 - HE22  GLN   30  14.90 +/- 1.61   0.028% *  0.8675% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  13.19 +/- 1.47   0.068% *  0.2364% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.9, residual support = 45.8:
      O   HA    LEU   31 - HN    GLN   32   3.60 +/- 0.03  99.994% * 99.9819% (0.97  10.0   5.90  45.77) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.32 +/- 1.21   0.006% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.3, residual support = 44.9:
          QG    GLN   32 - HN    GLN   32   3.67 +/- 0.42  99.906% * 98.8756% (0.99   4.30  44.94) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.32 +/- 1.32   0.026% *  0.3720% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.84 +/- 1.57   0.057% *  0.1034% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  18.57 +/- 0.70   0.007% *  0.1292% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  22.10 +/- 1.13   0.003% *  0.3191% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  29.01 +/- 1.86   0.001% *  0.1292% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  30.18 +/- 1.09   0.000% *  0.0717% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 4.3, residual support = 44.9:
      O   QB    GLN   32 - HN    GLN   32   2.13 +/- 0.06  99.995% * 99.6924% (0.90  10.0   4.30  44.94) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  12.29 +/- 0.32   0.003% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  13.62 +/- 1.62   0.002% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  20.95 +/- 1.06   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  17.12 +/- 0.97   0.000% *  0.0172% (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 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.598, support = 3.22, residual support = 6.86:
          HB3   GLN   30 - HN    GLN   32   5.42 +/- 0.19  25.174% * 72.9864% (0.99   2.43   1.21) =  50.455%  kept
          QB    LYS+  33 - HN    GLN   32   4.47 +/- 0.32  74.605% * 24.1819% (0.20   4.03  12.61) =  49.542%  kept
          HB3   LYS+  38 - HN    GLN   32  12.46 +/- 0.30   0.167% *  0.5437% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  17.36 +/- 1.17   0.023% *  0.2068% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.07 +/- 0.79   0.018% *  0.1871% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  26.31 +/- 1.02   0.002% *  0.6009% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.40 +/- 1.23   0.001% *  0.5437% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  27.18 +/- 1.28   0.002% *  0.4633% (0.76   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.83 +/- 2.79   0.004% *  0.1350% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  23.93 +/- 1.87   0.004% *  0.1512% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.9, residual support = 45.8:
          HB2   LEU   31 - HN    GLN   32   2.71 +/- 0.20  99.938% * 97.3604% (0.98   5.90  45.77) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  11.11 +/- 0.95   0.027% *  0.2042% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.75 +/- 1.10   0.018% *  0.2178% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.32 +/- 0.94   0.006% *  0.3359% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  15.00 +/- 1.20   0.004% *  0.2445% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.59 +/- 0.71   0.003% *  0.1771% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.98 +/- 0.61   0.001% *  0.3019% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.06 +/- 1.16   0.001% *  0.3249% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  17.96 +/- 0.75   0.001% *  0.0936% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.42 +/- 2.08   0.000% *  0.2573% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  24.47 +/- 0.63   0.000% *  0.1639% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  30.12 +/- 2.43   0.000% *  0.3185% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.9, residual support = 45.8:
          HB3   LEU   31 - HN    GLN   32   3.71 +/- 0.19  99.739% * 98.9084% (0.98   5.90  45.77) = 100.000%  kept
          QG1   VAL   24 - HN    GLN   32  10.57 +/- 0.45   0.193% *  0.1936% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    GLN   32  12.85 +/- 0.36   0.061% *  0.1799% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.72 +/- 0.98   0.005% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  25.11 +/- 1.69   0.001% *  0.3301% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.06 +/- 1.89   0.002% *  0.0677% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  32.78 +/- 1.59   0.000% *  0.2349% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.39, residual support = 12.6:
          QG    GLN   32 - HN    LYS+  33   4.15 +/- 0.31  99.949% * 98.6541% (0.84   4.39  12.61) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  15.98 +/- 1.35   0.035% *  0.2831% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  19.32 +/- 0.64   0.010% *  0.2831% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  22.34 +/- 1.06   0.004% *  0.4967% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  28.90 +/- 1.95   0.001% *  0.2831% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 12.6:
          QB    GLN   32 - HN    LYS+  33   2.93 +/- 0.08  99.956% * 98.5352% (1.00   4.39  12.61) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.77 +/- 1.53   0.020% *  0.3592% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.92 +/- 0.34   0.009% *  0.4447% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.92 +/- 1.72   0.014% *  0.0692% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  19.18 +/- 1.15   0.001% *  0.4141% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.66 +/- 0.70   0.000% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.80 +/- 2.14   0.000% *  0.0888% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.83, residual support = 152.4:
      O   QB    LYS+  33 - HN    LYS+  33   2.18 +/- 0.26  99.249% * 99.1015% (0.97  10.0   5.83 152.35) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.30 +/- 0.39   0.741% *  0.0385% (0.38   1.0   0.02   0.29) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  11.13 +/- 0.25   0.008% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.83 +/- 1.32   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.98 +/- 1.08   0.000% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.45 +/- 0.64   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  19.73 +/- 1.18   0.000% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  20.26 +/- 1.23   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  25.38 +/- 1.83   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  27.24 +/- 1.27   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  31.58 +/- 1.30   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  27.25 +/- 0.94   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.80 +/- 1.81   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  26.87 +/- 1.21   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  30.47 +/- 1.58   0.000% *  0.0158% (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 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 152.4:
          HG2   LYS+  33 - HN    LYS+  33   3.62 +/- 0.37  99.990% * 98.5801% (0.61   4.32 152.35) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  19.07 +/- 0.61   0.005% *  0.6942% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  20.03 +/- 1.33   0.004% *  0.7257% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 5.29, residual support = 143.4:
          HG3   LYS+  33 - HN    LYS+  33   3.53 +/- 1.01  79.136% * 75.2018% (0.38   5.50 152.35) =  94.106%  kept
          HB2   LEU   31 - HN    LYS+  33   4.89 +/- 0.16  20.106% * 18.5226% (0.25   2.04   0.69) =   5.889%  kept
          HB3   LEU   73 - HN    LYS+  33   9.36 +/- 1.10   0.515% *  0.3835% (0.53   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    LYS+  33  12.10 +/- 1.00   0.106% *  0.6323% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LYS+  33  15.70 +/- 2.39   0.038% *  0.4127% (0.57   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  33  13.90 +/- 0.47   0.039% *  0.3268% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  16.83 +/- 0.66   0.012% *  0.6895% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.65 +/- 0.73   0.020% *  0.2736% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.87 +/- 0.51   0.008% *  0.4421% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.61 +/- 1.09   0.005% *  0.5571% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.21 +/- 2.12   0.003% *  0.5571% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.49 +/- 1.10   0.005% *  0.3548% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  20.44 +/- 1.39   0.004% *  0.3268% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  24.88 +/- 0.65   0.001% *  0.7035% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  32.30 +/- 1.08   0.000% *  0.4716% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  30.65 +/- 2.38   0.000% *  0.1443% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.572, residual support = 0.689:
          QD2   LEU   31 - HN    LYS+  33   4.90 +/- 0.10  99.427% * 90.5309% (0.65   0.57   0.69) =  99.969%  kept
          QG2   VAL   83 - HN    LYS+  33  12.08 +/- 0.79   0.490% *  4.8450% (0.99   0.02   0.02) =   0.026%
          QD1   ILE   89 - HN    LYS+  33  16.09 +/- 0.61   0.083% *  4.6241% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.56 A violated in 0 structures by 0.34 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.709, support = 1.98, residual support = 3.45:
          HA    LYS+  33 - HN    ASN   35   3.80 +/- 0.12  36.635% * 64.5275% (0.98   1.78   1.15) =  55.195%  kept
          HA    GLN   32 - HN    ASN   35   3.47 +/- 0.15  61.712% * 31.0878% (0.38   2.24   6.30) =  44.794%  kept
          HA    GLU-  29 - HN    ASN   35   8.12 +/- 0.34   0.382% *  0.7393% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.75 +/- 0.38   1.198% *  0.1143% (0.15   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    ASN   35  11.52 +/- 0.72   0.049% *  0.5663% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  13.09 +/- 0.74   0.022% *  0.7344% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  20.58 +/- 1.70   0.002% *  0.7151% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  23.15 +/- 1.07   0.001% *  0.3046% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  27.06 +/- 1.13   0.000% *  0.5663% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.17 +/- 1.07   0.000% *  0.4793% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  30.17 +/- 1.27   0.000% *  0.1650% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 52.1:
          HA    GLU-  36 - HN    ASN   35   4.92 +/- 0.02  97.315% * 98.5301% (0.97   3.97  52.11) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   9.02 +/- 0.37   2.656% *  0.1018% (0.20   0.02   0.02) =   0.003%
          HA    LYS+  81 - HN    ASN   35  22.04 +/- 0.82   0.012% *  0.5131% (1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   35  23.97 +/- 2.13   0.009% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.62 +/- 0.85   0.006% *  0.0901% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  31.07 +/- 1.06   0.002% *  0.3532% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 5 structures by 0.89 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.319, support = 5.83, residual support = 54.6:
      O   HB2   ASN   35 - HN    ASN   35   2.81 +/- 0.62  96.152% * 70.5869% (0.31  10.0   5.89  55.44) =  98.435%  kept
          QE    LYS+  33 - HN    ASN   35   6.00 +/- 0.82   3.775% * 28.5919% (1.00   1.0   2.51   1.15) =   1.565%  kept
          HB2   ASN   28 - HN    ASN   35  10.57 +/- 0.39   0.059% *  0.2207% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  17.14 +/- 1.25   0.003% *  0.1479% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  15.40 +/- 1.26   0.008% *  0.0401% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.20 +/- 1.48   0.001% *  0.1984% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.09 +/- 0.84   0.001% *  0.0570% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  24.52 +/- 0.95   0.000% *  0.1571% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.12 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   2.93 +/- 0.04  98.456% * 97.9950% (0.92   3.31  18.74) =  99.996%  kept
          QG2   THR   39 - HN    ASN   35   7.25 +/- 1.09   1.005% *  0.1980% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ASN   35   7.18 +/- 0.66   0.532% *  0.3631% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.79 +/- 0.57   0.004% *  0.6287% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  22.39 +/- 1.62   0.001% *  0.4902% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.24 +/- 1.15   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  23.01 +/- 0.86   0.000% *  0.1980% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.73, residual support = 94.4:
      O   HB2   ASN   28 - HD21  ASN   28   4.06 +/- 0.05  97.384% * 99.6076% (0.97  10.0   3.73  94.44) =  99.997%  kept
          HB2   ASP-  86 - HD21  ASN   28   8.15 +/- 1.15   2.294% *  0.0953% (0.92   1.0   0.02   0.02) =   0.002%
          QE    LYS+  33 - HD21  ASN   28  12.11 +/- 1.46   0.186% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  13.57 +/- 1.29   0.086% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  15.20 +/- 1.08   0.040% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  19.52 +/- 1.76   0.009% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.48 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.46, residual support = 94.4:
      O   HB3   ASN   28 - HD21  ASN   28   3.91 +/- 0.07  99.261% * 99.7665% (0.90  10.0   3.46  94.44) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   8.97 +/- 0.50   0.733% *  0.1110% (1.00   1.0   0.02   8.50) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  21.87 +/- 1.92   0.004% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  23.55 +/- 1.74   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.97, residual support = 11.3:
          QG2   VAL   24 - HD21  ASN   28   2.02 +/- 0.33  99.998% * 97.0818% (0.76   1.97  11.28) = 100.000%  kept
          HG    LEU   63 - HD21  ASN   28  19.73 +/- 1.43   0.000% *  1.1552% (0.90   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD21  ASN   28  15.56 +/- 1.64   0.001% *  0.3212% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  19.48 +/- 1.29   0.000% *  0.1987% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  29.21 +/- 1.35   0.000% *  1.2431% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.03, residual support = 47.4:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.02  99.995% * 99.7755% (1.00  10.0   5.03  47.40) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  21.63 +/- 1.00   0.002% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  22.25 +/- 0.94   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.80 +/- 1.33   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.94, residual support = 11.3:
          HA    VAL   24 - HN    ASN   28   4.09 +/- 0.24  99.941% * 99.3779% (0.92   4.94  11.28) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.50 +/- 0.39   0.037% *  0.1790% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  17.81 +/- 0.89   0.016% *  0.1790% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  21.06 +/- 1.24   0.006% *  0.2641% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 47.4:
          HB2   TRP   27 - HN    ASN   28   2.94 +/- 0.25  99.985% * 99.2345% (0.80   5.30  47.40) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.21 +/- 1.04   0.015% *  0.3908% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  22.91 +/- 1.00   0.000% *  0.3747% (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 = 6.25, residual support = 94.4:
      O   HB2   ASN   28 - HN    ASN   28   2.69 +/- 0.11  99.881% * 99.6076% (0.97  10.0   6.25  94.44) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.90 +/- 1.58   0.070% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.73 +/- 1.06   0.032% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  12.40 +/- 1.16   0.013% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  18.57 +/- 1.87   0.001% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.85 +/- 1.04   0.003% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.05, residual support = 94.4:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.02  96.847% * 99.7665% (0.90  10.0   6.05  94.44) =  99.996%  kept
          HG2   GLN   30 - HN    ASN   28   6.36 +/- 0.40   3.150% *  0.1110% (1.00   1.0   0.02   8.50) =   0.004%
          QE    LYS+ 121 - HN    ASN   28  22.10 +/- 1.99   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.17 +/- 1.48   0.001% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.471, support = 2.2, residual support = 21.3:
          HG3   GLU-  29 - HN    ASN   28   5.51 +/- 0.35  49.867% * 58.1854% (0.20   3.31  33.08) =  60.967%  kept
          HB2   GLU-  25 - HN    ASN   28   5.50 +/- 0.16  49.551% * 37.4794% (0.90   0.47   2.81) =  39.022%  kept
          HB2   MET   96 - HN    ASN   28  12.80 +/- 1.01   0.344% *  0.5479% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  15.13 +/- 1.34   0.132% *  1.4215% (0.80   0.02   0.02) =   0.004%
          HB    VAL   70 - HN    ASN   28  16.73 +/- 0.82   0.064% *  1.2891% (0.73   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HN    ASN   28  17.80 +/- 0.39   0.042% *  1.0767% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.464, support = 2.71, residual support = 11.3:
          QG2   VAL   24 - HN    ASN   28   3.71 +/- 0.27  87.803% * 55.5464% (0.45   2.83  11.28) =  90.308%  kept
          QG1   VAL   24 - HN    ASN   28   5.23 +/- 0.40  12.186% * 42.9499% (0.61   1.62  11.28) =   9.692%  kept
          QG1   VAL  107 - HN    ASN   28  18.91 +/- 0.90   0.006% *  0.8077% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  19.58 +/- 1.16   0.005% *  0.2701% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  30.99 +/- 1.49   0.000% *  0.4259% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.485, support = 2.26, residual support = 0.823:
          QD2   LEU   80 - HN    ASN   28   5.64 +/- 1.09  26.772% * 44.5049% (0.45   2.53   1.09) =  42.127%  kept
          QD1   LEU   73 - HN    ASN   28   4.74 +/- 0.30  54.052% * 17.4204% (0.15   2.88   0.93) =  33.291%  kept
          QG1   VAL   83 - HN    ASN   28   5.81 +/- 0.69  18.969% * 36.6495% (1.00   0.94   0.23) =  24.579%  kept
          QG2   ILE   89 - HN    ASN   28  13.05 +/- 0.72   0.128% *  0.4437% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.71 +/- 1.21   0.031% *  0.5383% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  15.73 +/- 0.81   0.042% *  0.1209% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  22.08 +/- 1.37   0.006% *  0.3222% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.08, residual support = 25.7:
          HA    VAL   24 - HN    TRP   27   3.11 +/- 0.12  99.980% * 99.0398% (0.99   3.08  25.68) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.85 +/- 0.39   0.004% *  0.4705% (0.73   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  16.28 +/- 0.92   0.005% *  0.1135% (0.18   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.93 +/- 0.92   0.004% *  0.0794% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.56 +/- 1.07   0.001% *  0.2000% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  16.81 +/- 1.09   0.004% *  0.0140% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.73 +/- 0.91   0.000% *  0.0581% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  23.51 +/- 1.43   0.001% *  0.0247% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 100.0:
      O   HB2   TRP   27 - HN    TRP   27   2.13 +/- 0.11  99.758% * 99.8160% (0.99  10.0   5.32 100.04) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   6.75 +/- 1.09   0.206% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   8.80 +/- 1.34   0.032% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  12.11 +/- 0.91   0.003% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  22.41 +/- 0.87   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  17.41 +/- 0.86   0.000% *  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 = 100.0:
      O   HB3   TRP   27 - HN    TRP   27   2.91 +/- 0.21  99.929% * 99.6559% (0.99  10.0   5.64 100.04) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  12.12 +/- 1.73   0.028% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  18.71 +/- 0.82   0.002% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.16 +/- 0.84   0.003% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.74 +/- 1.80   0.002% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  12.53 +/- 1.10   0.020% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  18.79 +/- 0.69   0.002% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.18 +/- 1.29   0.005% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.87 +/- 0.64   0.001% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.19 +/- 2.35   0.003% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.97 +/- 0.92   0.003% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  22.26 +/- 1.19   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  18.94 +/- 2.18   0.002% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.14 +/- 1.31   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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   3.48 +/- 0.69  99.892% * 96.3520% (0.53   0.75   1.50) =  99.999%  kept
          HG2   MET   96 - HN    TRP   27  14.85 +/- 1.21   0.027% *  2.9640% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  13.15 +/- 1.16   0.074% *  0.3662% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  19.04 +/- 1.54   0.007% *  0.3177% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.06 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   2.87 +/- 0.55  99.684% * 97.5840% (0.98   4.44  22.20) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27  10.06 +/- 0.93   0.211% *  0.3591% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.96 +/- 1.10   0.035% *  0.0785% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  17.77 +/- 1.82   0.005% *  0.4474% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  13.10 +/- 1.96   0.041% *  0.0110% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.05 +/- 0.89   0.001% *  0.3427% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.68 +/- 0.52   0.003% *  0.0887% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.74 +/- 1.81   0.000% *  0.4474% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  20.49 +/- 1.03   0.001% *  0.1247% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  19.70 +/- 1.76   0.002% *  0.0553% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  17.73 +/- 1.16   0.003% *  0.0444% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  18.05 +/- 1.12   0.002% *  0.0543% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  20.96 +/- 1.38   0.001% *  0.0553% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  24.24 +/- 1.42   0.001% *  0.1247% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  21.57 +/- 1.26   0.001% *  0.0423% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  17.65 +/- 1.58   0.004% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  19.92 +/- 1.50   0.002% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.46 +/- 1.36   0.002% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  26.95 +/- 1.94   0.000% *  0.0887% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.01 +/- 0.93   0.001% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.925, support = 2.91, residual support = 21.3:
          QD1   LEU   73 - HN    TRP   27   3.97 +/- 0.62  53.890% * 61.8492% (1.00   3.13  28.73) =  68.816%  kept
          QD2   LEU   80 - HN    TRP   27   4.46 +/- 1.11  41.222% * 36.6327% (0.76   2.42   4.84) =  31.178%  kept
          QG1   VAL   83 - HN    TRP   27   6.08 +/- 0.66   4.186% *  0.0611% (0.15   0.02   2.63) =   0.005%
          QG2   VAL   41 - HN    TRP   27   9.04 +/- 0.64   0.363% *  0.0536% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    TRP   27  15.17 +/- 0.75   0.015% *  0.3948% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.53 +/- 0.80   0.013% *  0.2400% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  12.46 +/- 1.41   0.056% *  0.0488% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  12.53 +/- 0.87   0.052% *  0.0374% (0.09   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  13.39 +/- 1.60   0.042% *  0.0392% (0.10   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.50 +/- 1.08   0.007% *  0.2082% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.23 +/- 1.11   0.017% *  0.0488% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.16 +/- 0.67   0.095% *  0.0075% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  14.29 +/- 1.30   0.023% *  0.0297% (0.07   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  21.46 +/- 1.27   0.002% *  0.3168% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.85 +/- 1.28   0.006% *  0.0257% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.62 +/- 0.81   0.013% *  0.0066% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.935, support = 0.02, residual support = 1.1:
          QG2   VAL   75 - HN    TRP   27   7.34 +/- 1.77  84.727% * 43.3149% (0.95   0.02   1.17) =  94.079%  kept
          QG2   VAL   42 - HN    TRP   27  13.45 +/- 0.77   3.688% * 45.6877% (1.00   0.02   0.02) =   4.319%  kept
          QG2   VAL   75 - HN    ALA   91  10.94 +/- 0.81   9.961% *  5.3521% (0.12   0.02   0.02) =   1.367%  kept
          QG2   VAL   42 - HN    ALA   91  14.86 +/- 0.71   1.624% *  5.6453% (0.12   0.02   0.02) =   0.235%
    Distance limit 4.43 A violated in 20 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.618, support = 1.06, residual support = 7.3:
          QG1   VAL   83 - HE1   TRP   27   3.20 +/- 0.75  84.765% * 11.9798% (0.41   0.87   2.63) =  60.850%  kept
          QD2   LEU   80 - HE1   TRP   27   5.34 +/- 1.47   8.906% * 43.5116% (0.99   1.31   4.84) =  23.222%  kept
          QD1   LEU   73 - HE1   TRP   27   5.76 +/- 0.64   6.255% * 42.4884% (0.87   1.46  28.73) =  15.925%  kept
          QD1   LEU   63 - HE1   TRP   27  13.31 +/- 1.50   0.028% *  0.5820% (0.87   0.02   0.02) =   0.001%
          QD1   LEU  104 - HE1   TRP   27  14.34 +/- 1.43   0.018% *  0.5820% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  13.83 +/- 1.51   0.025% *  0.1866% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  19.09 +/- 1.42   0.003% *  0.6695% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.497, support = 1.6, residual support = 15.4:
          QD2   LEU   31 - HE1   TRP   27   4.30 +/- 0.61  66.102% * 57.4047% (0.31   2.03  20.75) =  72.437%  kept
          QG2   VAL   43 - HE1   TRP   27   5.32 +/- 1.32  33.898% * 42.5953% (0.99   0.47   1.27) =  27.563%  kept
    Distance limit 3.83 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.57, residual support = 29.0:
          HB2   GLU-  25 - HN    THR   26   2.71 +/- 0.14  98.212% * 98.9540% (0.90   5.57  29.04) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.40 +/- 0.47   1.780% *  0.0784% (0.20   0.02   1.39) =   0.001%
          QG    GLN   17 - HN    THR   26  15.05 +/- 1.49   0.004% *  0.3173% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.87 +/- 0.93   0.003% *  0.1223% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.61 +/- 0.69   0.001% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.67 +/- 0.39   0.001% *  0.2403% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 29.0:
          HB3   GLU-  25 - HN    THR   26   3.21 +/- 0.12  98.407% * 95.5060% (0.57   5.27  29.04) =  99.993%  kept
          HG3   GLN   30 - HN    THR   26   7.57 +/- 0.69   0.652% *  0.5351% (0.84   0.02   4.82) =   0.004%
          HB2   GLN   30 - HN    THR   26   7.59 +/- 1.00   0.794% *  0.3370% (0.53   0.02   4.82) =   0.003%
          HB    ILE   19 - HN    THR   26   9.77 +/- 0.40   0.132% *  0.1268% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.31 +/- 1.07   0.006% *  0.4896% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  17.19 +/- 0.68   0.004% *  0.4896% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  21.64 +/- 1.25   0.001% *  0.3886% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  24.26 +/- 1.65   0.001% *  0.6392% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  23.68 +/- 1.62   0.001% *  0.1977% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.82 +/- 1.03   0.000% *  0.3370% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  30.43 +/- 1.37   0.000% *  0.5351% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.87 +/- 0.96   0.000% *  0.1597% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.24 +/- 1.05   0.001% *  0.0988% (0.15   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  28.30 +/- 1.45   0.000% *  0.1597% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.6:
          QG2   THR   26 - HN    THR   26   3.32 +/- 0.25  99.899% * 98.0841% (0.95   4.46  35.62) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  11.52 +/- 1.05   0.093% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  19.41 +/- 1.95   0.003% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.88 +/- 0.48   0.002% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  22.74 +/- 1.02   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.21 +/- 1.82   0.000% *  0.3886% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.77 +/- 0.74   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.60 +/- 1.31   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.596, support = 0.0198, residual support = 0.0198:
          HB3   LEU   80 - HN    THR   26   8.96 +/- 0.91  55.105% *  8.4695% (0.53   0.02   0.02) =  49.512%  kept
          HB2   LEU   31 - HN    THR   26   9.63 +/- 0.36  35.942% * 11.0578% (0.69   0.02   0.02) =  42.163%  kept
          QG2   THR   77 - HN    THR   26  13.28 +/- 0.81   5.260% *  7.8357% (0.49   0.02   0.02) =   4.373%  kept
          QB    ALA   88 - HN    THR   26  17.20 +/- 0.72   1.162% * 13.9639% (0.87   0.02   0.02) =   1.721%  kept
          HG2   LYS+  38 - HN    THR   26  20.04 +/- 0.58   0.452% * 16.0623% (1.00   0.02   0.02) =   0.771%  kept
          HB3   ASP-  44 - HN    THR   26  16.90 +/- 0.72   1.271% *  4.9686% (0.31   0.02   0.02) =   0.670%  kept
          HG2   LYS+  99 - HN    THR   26  22.17 +/- 0.80   0.242% * 15.5357% (0.97   0.02   0.02) =   0.399%
          HB2   LEU   63 - HN    THR   26  20.22 +/- 1.24   0.444% *  6.6181% (0.41   0.02   0.02) =   0.312%
          HG2   LYS+ 111 - HN    THR   26  30.48 +/- 2.05   0.039% * 12.3026% (0.76   0.02   0.02) =   0.051%
          QB    ALA  124 - HN    THR   26  26.75 +/- 1.60   0.082% *  3.1858% (0.20   0.02   0.02) =   0.028%
    Distance limit 4.49 A violated in 20 structures by 3.57 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 35.7:
      O   HA    VAL   24 - HN    GLU-  25   3.59 +/- 0.02  99.991% * 99.8455% (0.92  10.0   5.64  35.71) = 100.000%  kept
          HA    ALA   61 - HN    GLU-  25  19.26 +/- 0.92   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    GLU-  25  20.20 +/- 0.36   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  24.38 +/- 1.11   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.11, residual support = 127.7:
      O   HB2   GLU-  25 - HN    GLU-  25   2.98 +/- 0.40  98.955% * 99.5608% (0.61  10.0   6.11 127.75) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   7.16 +/- 0.69   0.665% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.27 +/- 0.75   0.372% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.13 +/- 1.45   0.004% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.44 +/- 0.37   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  19.01 +/- 1.74   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.26 +/- 0.70   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.9, residual support = 127.7:
      O   HB3   GLU-  25 - HN    GLU-  25   2.40 +/- 0.64  99.843% * 98.7761% (0.57  10.0   5.90 127.75) = 100.000%  kept
          HB2   GLN   30 - HN    GLU-  25   9.61 +/- 0.96   0.089% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU-  25   9.99 +/- 0.64   0.047% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  12.13 +/- 0.44   0.016% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.65 +/- 1.04   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.57 +/- 0.66   0.001% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.93 +/- 1.27   0.000% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  26.22 +/- 1.37   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  23.13 +/- 1.58   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  30.25 +/- 1.65   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.86 +/- 1.06   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  28.69 +/- 0.99   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  26.05 +/- 1.00   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  28.14 +/- 1.44   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.27, residual support = 6.28:
          QG2   THR   23 - HN    GLU-  25   4.23 +/- 0.14  99.643% * 98.6170% (0.73   3.27   6.28) =  99.998%  kept
          QG2   THR   77 - HN    GLU-  25  12.70 +/- 0.90   0.155% *  0.6031% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.52 +/- 0.30   0.153% *  0.3117% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.84 +/- 1.00   0.041% *  0.2833% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  20.73 +/- 1.85   0.009% *  0.1849% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.68, residual support = 35.7:
          QG2   VAL   24 - HN    GLU-  25   3.39 +/- 0.35  99.996% * 99.2559% (0.97   4.68  35.71) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  22.07 +/- 1.36   0.002% *  0.3817% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  20.98 +/- 0.78   0.002% *  0.1651% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  31.62 +/- 1.31   0.000% *  0.1973% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.32, residual support = 127.7:
          HG2   GLU-  25 - HN    GLU-  25   3.68 +/- 0.39  99.975% * 99.4360% (0.97   5.32 127.75) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  15.78 +/- 1.37   0.021% *  0.1196% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  20.22 +/- 0.93   0.004% *  0.1886% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  30.95 +/- 1.27   0.000% *  0.1593% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  32.42 +/- 1.33   0.000% *  0.0966% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 65.4:
      O   HA    VAL   24 - HN    VAL   24   2.82 +/- 0.02  99.997% * 99.8455% (0.92  10.0   4.34  65.39) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  17.70 +/- 0.97   0.002% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  21.13 +/- 0.43   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  23.79 +/- 1.16   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 65.4:
      O   HB    VAL   24 - HN    VAL   24   2.42 +/- 0.25  99.700% * 99.7135% (0.95  10.0   4.68  65.39) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   7.03 +/- 1.07   0.294% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.41 +/- 0.48   0.006% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.63 +/- 0.99   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  25.94 +/- 1.19   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 25.3:
          QG2   THR   23 - HN    VAL   24   3.64 +/- 0.20  99.745% * 99.1631% (0.73   5.43  25.29) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24  10.86 +/- 0.87   0.174% *  0.3649% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   24  13.15 +/- 0.33   0.048% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.74 +/- 1.01   0.027% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  19.07 +/- 1.88   0.006% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.877, support = 4.12, residual support = 65.4:
          QG1   VAL   24 - HN    VAL   24   2.25 +/- 0.42  90.615% * 77.1701% (0.90   4.09  65.39) =  97.146%  kept
          QG2   VAL   24 - HN    VAL   24   3.62 +/- 0.14   9.382% * 21.8984% (0.20   5.26  65.39) =   2.854%  kept
          HB3   LEU   31 - HN    VAL   24  12.93 +/- 0.33   0.003% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.78 +/- 0.77   0.000% *  0.4173% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  30.70 +/- 1.70   0.000% *  0.3371% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  25.32 +/- 1.45   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 2.95, residual support = 11.0:
          QD2   LEU   80 - HN    VAL   24   3.13 +/- 0.59  90.769% * 89.6566% (0.76   2.96  11.06) =  99.322%  kept
          QG1   VAL   83 - HN    VAL   24   5.33 +/- 1.14   7.624% *  7.1242% (0.15   1.17   0.65) =   0.663%  kept
          QD1   LEU   73 - HN    VAL   24   7.02 +/- 0.84   1.548% *  0.7903% (1.00   0.02   0.02) =   0.015%
          QD1   LEU   63 - HN    VAL   24  16.65 +/- 0.90   0.007% *  0.7903% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    VAL   24  12.12 +/- 0.72   0.043% *  0.1072% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.47 +/- 0.94   0.006% *  0.4804% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  20.14 +/- 1.13   0.002% *  0.4167% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  22.22 +/- 1.34   0.001% *  0.6342% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.1, residual support = 21.5:
          HB2   HIS   22 - HN    THR   23   4.22 +/- 0.46  99.978% * 99.6177% (0.99   5.10  21.46) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  19.35 +/- 0.93   0.013% *  0.3290% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.42 +/- 2.38   0.009% *  0.0533% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.7, residual support = 21.5:
          HB3   HIS   22 - HN    THR   23   4.11 +/- 0.30  99.985% * 99.7213% (0.76   5.70  21.46) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  18.72 +/- 0.72   0.013% *  0.0906% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  25.69 +/- 2.31   0.002% *  0.1882% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 1.9, residual support = 4.25:
          HB3   CYS   21 - HN    THR   23   3.40 +/- 0.52 100.000% *100.0000% (1.00   1.90   4.25) = 100.000%  kept
    Distance limit 4.41 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   3.43 +/- 0.64  96.874% * 94.7502% (0.73   2.03  14.11) =  99.959%  kept
          HB2   LYS+  74 - HN    THR   23   8.20 +/- 1.23   3.093% *  1.2168% (0.95   0.02   0.02) =   0.041%
          HG2   LYS+  65 - HN    THR   23  16.44 +/- 1.96   0.021% *  0.8321% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  19.52 +/- 0.58   0.005% *  0.9340% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  20.47 +/- 1.09   0.004% *  0.2864% (0.22   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  24.08 +/- 0.79   0.001% *  0.6261% (0.49   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.89 +/- 1.66   0.001% *  0.6261% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.61 +/- 1.66   0.001% *  0.7282% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.76, residual support = 19.1:
          QG2   THR   23 - HN    THR   23   3.38 +/- 0.30  99.832% * 97.7043% (0.41   4.76  19.15) =  99.999%  kept
          QG2   THR   77 - HN    THR   23  10.95 +/- 0.61   0.105% *  0.9643% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    THR   23  12.12 +/- 0.37   0.052% *  0.1542% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  16.62 +/- 0.69   0.008% *  0.6464% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.65 +/- 0.56   0.002% *  0.3084% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.48 +/- 0.74   0.001% *  0.2225% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.323, support = 2.2, residual support = 5.59:
          QD1   LEU   80 - HN    THR   23   3.73 +/- 0.53  48.665% * 41.5829% (0.45   1.14   5.60) =  50.068%  kept
          QD2   LEU   80 - HN    THR   23   4.02 +/- 1.00  37.915% * 52.9242% (0.20   3.28   5.60) =  49.647%  kept
          QD1   LEU   73 - HN    THR   23   5.33 +/- 1.10  13.270% *  0.8581% (0.53   0.02   0.02) =   0.282%
          QG2   VAL   41 - HN    THR   23  11.06 +/- 0.62   0.087% *  1.0551% (0.65   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    THR   23  12.75 +/- 0.82   0.033% *  0.7312% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    THR   23  15.78 +/- 0.77   0.013% *  1.6274% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    THR   23  15.14 +/- 0.91   0.015% *  0.8581% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  21.02 +/- 1.35   0.002% *  0.3631% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.4:
      O   HB3   HIS   22 - HN    HIS   22   2.88 +/- 0.46 100.000% * 99.9260% (0.98  10.0   3.46  34.42) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  25.42 +/- 2.63   0.000% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.6, residual support = 169.7:
          HG3   ARG+  54 - HN    ARG+  54   3.49 +/- 0.62  69.289% * 95.0750% (0.26   6.62 170.24) =  99.661%  kept
          QB    ALA   57 - HN    ARG+  54   4.38 +/- 0.84  27.896% *  0.7892% (0.72   0.02   0.02) =   0.333%
          QB    ALA   57 - HN    ASP-  62   6.49 +/- 0.50   2.251% *  0.1477% (0.14   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ASP-  62   8.79 +/- 1.56   0.494% *  0.0866% (0.08   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ARG+  54  15.59 +/- 1.52   0.013% *  0.8269% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ARG+  54  16.01 +/- 1.47   0.009% *  0.4630% (0.42   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.82 +/- 0.99   0.020% *  0.1894% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.63 +/- 1.54   0.001% *  1.0122% (0.93   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  14.03 +/- 0.92   0.019% *  0.0537% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.68 +/- 1.61   0.004% *  0.1894% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.77 +/- 1.35   0.004% *  0.1547% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  26.76 +/- 1.30   0.000% *  1.0122% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.39, residual support = 28.4:
      O   HB2   CYS   21 - HN    CYS   21   2.74 +/- 0.28  99.955% * 99.8975% (0.90  10.0   3.39  28.37) = 100.000%  kept
          QE    LYS+ 111 - HN    ILE  119  11.80 +/- 1.11   0.024% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    CYS   21  12.68 +/- 0.69   0.012% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  13.81 +/- 1.12   0.007% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.68 +/- 1.27   0.000% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  24.94 +/- 0.81   0.000% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.3, residual support = 28.4:
      O   HB3   CYS   21 - HN    CYS   21   3.59 +/- 0.30  99.955% * 99.8170% (0.53  10.0   3.30  28.37) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  15.55 +/- 0.85   0.018% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  14.52 +/- 1.11   0.025% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.78 +/- 1.42   0.002% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.29, support = 0.0196, residual support = 0.0196:
          HG    LEU  123 - HN    ILE  119   6.91 +/- 0.58  45.233% *  3.5886% (0.32   0.02   0.02) =  60.115%  kept
          QB    LYS+  66 - HN    ILE  119   8.25 +/- 1.39  20.118% *  2.1815% (0.19   0.02   0.02) =  16.253%  kept
          HB3   ASP- 105 - HN    ILE  119   8.33 +/- 1.44  20.882% *  1.1101% (0.10   0.02   0.02) =   8.585%  kept
          HB    VAL   41 - HN    CYS   21  12.65 +/- 0.87   1.274% *  9.1141% (0.80   0.02   0.02) =   4.301%  kept
          QB    LYS+  33 - HN    CYS   21  10.67 +/- 0.66   3.493% *  2.5341% (0.22   0.02   0.02) =   3.278%  kept
          HG2   PRO   93 - HN    ILE  119  11.04 +/- 1.14   3.489% *  1.2268% (0.11   0.02   0.02) =   1.585%  kept
          QB    LYS+  66 - HN    CYS   21  14.82 +/- 0.78   0.522% *  6.9036% (0.61   0.02   0.02) =   1.333%  kept
          HG3   PRO   68 - HN    ILE  119  12.27 +/- 2.05   2.206% *  1.4786% (0.13   0.02   0.02) =   1.208%  kept
          HG12  ILE  103 - HN    CYS   21  17.57 +/- 0.84   0.174% * 10.5070% (0.92   0.02   0.02) =   0.679%  kept
          HG12  ILE  103 - HN    ILE  119  15.42 +/- 1.55   0.441% *  3.3201% (0.29   0.02   0.02) =   0.542%  kept
          HB3   PRO   52 - HN    ILE  119  16.40 +/- 1.12   0.273% *  3.5886% (0.32   0.02   0.02) =   0.363%
          HB    VAL   41 - HN    ILE  119  16.75 +/- 1.21   0.251% *  2.8799% (0.25   0.02   0.02) =   0.268%
          HG3   PRO   68 - HN    CYS   21  18.53 +/- 1.01   0.134% *  4.6793% (0.41   0.02   0.02) =   0.232%
          HB3   PRO   52 - HN    CYS   21  22.15 +/- 1.57   0.045% * 11.3569% (1.00   0.02   0.02) =   0.191%
          HG2   ARG+  54 - HN    ILE  119  16.77 +/- 1.64   0.333% *  1.2268% (0.11   0.02   0.02) =   0.151%
          HG    LEU  123 - HN    CYS   21  23.78 +/- 1.60   0.035% * 11.3569% (1.00   0.02   0.02) =   0.145%
          HB    ILE  103 - HN    ILE  119  16.40 +/- 1.25   0.277% *  1.3499% (0.12   0.02   0.02) =   0.138%
          HB    ILE  103 - HN    CYS   21  20.15 +/- 0.85   0.076% *  4.2718% (0.38   0.02   0.02) =   0.120%
          HG2   PRO   93 - HN    CYS   21  20.16 +/- 0.66   0.073% *  3.8825% (0.34   0.02   0.02) =   0.105%
          HB3   ASP- 105 - HN    CYS   21  20.19 +/- 0.89   0.075% *  3.5131% (0.31   0.02   0.02) =   0.098%
          HB3   GLN   90 - HN    CYS   21  19.47 +/- 2.29   0.117% *  1.9934% (0.18   0.02   0.02) =   0.087%
          HG2   ARG+  54 - HN    CYS   21  21.73 +/- 2.01   0.055% *  3.8825% (0.34   0.02   0.02) =   0.079%
          QB    LYS+ 102 - HN    CYS   21  19.76 +/- 0.78   0.085% *  1.9934% (0.18   0.02   0.02) =   0.063%
          QB    LYS+ 102 - HN    ILE  119  16.98 +/- 1.18   0.229% *  0.6299% (0.06   0.02   0.02) =   0.053%
          HB3   GLN   90 - HN    ILE  119  20.81 +/- 1.17   0.068% *  0.6299% (0.06   0.02   0.02) =   0.016%
          QB    LYS+  33 - HN    ILE  119  22.31 +/- 0.90   0.041% *  0.8007% (0.07   0.02   0.02) =   0.012%
    Distance limit 3.55 A violated in 20 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.513, support = 5.7, residual support = 157.6:
          HG13  ILE  119 - HN    ILE  119   3.16 +/- 0.55  63.620% * 42.3277% (0.31   7.14 259.54) =  58.512%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.04  34.075% * 56.0324% (0.80   3.66  13.95) =  41.486%  kept
          QG2   VAL  107 - HN    ILE  119   6.13 +/- 0.51   1.470% *  0.0269% (0.07   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.22 +/- 0.50   0.530% *  0.0497% (0.13   0.02   2.64) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.64 +/- 0.55   0.186% *  0.1181% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.08 +/- 0.43   0.014% *  0.3694% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.79 +/- 1.20   0.095% *  0.0497% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.53 +/- 1.63   0.002% *  0.3752% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  16.15 +/- 0.90   0.004% *  0.0852% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.85 +/- 0.91   0.002% *  0.0968% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.23 +/- 1.35   0.000% *  0.1574% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.80 +/- 1.28   0.001% *  0.1167% (0.30   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  26.26 +/- 1.74   0.000% *  0.1574% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.78 +/- 1.10   0.001% *  0.0373% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.557, support = 2.17, residual support = 10.2:
          QD2   LEU   73 - HN    CYS   21   4.53 +/- 0.56  62.000% * 80.4867% (0.57   2.21  10.40) =  97.661%  kept
          QD1   ILE   19 - HN    CYS   21   6.47 +/- 0.22   8.052% * 12.3229% (0.22   0.86   0.02) =   1.942%  kept
          QG2   VAL   18 - HN    CYS   21   5.88 +/- 0.97  19.144% *  0.8327% (0.65   0.02   0.02) =   0.312%
          QG1   VAL   43 - HN    CYS   21   9.00 +/- 0.84   1.365% *  1.1165% (0.87   0.02   0.02) =   0.030%
          QG2   THR   46 - HN    CYS   21   8.98 +/- 1.25   1.477% *  0.6772% (0.53   0.02   0.02) =   0.020%
          QD1   ILE   56 - HN    ILE  119   6.81 +/- 0.68   6.676% *  0.1255% (0.10   0.02   0.02) =   0.016%
          QG1   VAL   41 - HN    CYS   21  10.45 +/- 0.58   0.436% *  1.2617% (0.98   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    CYS   21  11.06 +/- 0.60   0.317% *  0.9347% (0.73   0.02   0.02) =   0.006%
          QG1   VAL   43 - HN    ILE  119  12.62 +/- 0.83   0.155% *  0.3528% (0.27   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  13.38 +/- 1.13   0.118% *  0.2631% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  13.46 +/- 1.29   0.102% *  0.2140% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ILE  119  15.01 +/- 1.04   0.055% *  0.3987% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    CYS   21  16.33 +/- 1.12   0.035% *  0.3973% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    ILE  119  15.69 +/- 1.60   0.048% *  0.2303% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  22.01 +/- 1.69   0.005% *  0.2953% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  18.70 +/- 0.72   0.013% *  0.0906% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.489, support = 4.79, residual support = 9.97:
          QD1   LEU   73 - HN    CYS   21   4.29 +/- 0.86  39.838% * 82.8595% (0.53   4.92  10.40) =  91.479%  kept
          QD2   LEU  115 - HN    ILE  119   4.48 +/- 0.74  29.120% *  8.6700% (0.07   3.85   6.54) =   6.997%  kept
          QD1   LEU   63 - HN    ILE  119   5.54 +/- 0.89   8.975% *  5.5783% (0.17   1.05   0.21) =   1.387%  kept
          QD1   LEU   80 - HN    CYS   21   5.79 +/- 0.98   8.567% *  0.2869% (0.45   0.02   0.02) =   0.068%
          QD2   LEU   63 - HN    ILE  119   5.60 +/- 1.06   8.251% *  0.2017% (0.32   0.02   0.21) =   0.046%
          QD2   LEU   80 - HN    CYS   21   6.32 +/- 1.11   4.700% *  0.1266% (0.20   0.02   0.02) =   0.016%
          QG2   VAL   41 - HN    CYS   21   9.18 +/- 0.82   0.292% *  0.4139% (0.65   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    CYS   21  12.49 +/- 0.86   0.053% *  0.6385% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.06 +/- 0.80   0.065% *  0.3367% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    CYS   21  11.47 +/- 0.57   0.073% *  0.2869% (0.45   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  14.06 +/- 0.99   0.022% *  0.1308% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  13.85 +/- 1.13   0.025% *  0.0907% (0.14   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  18.19 +/- 1.21   0.005% *  0.1425% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  17.11 +/- 1.11   0.006% *  0.1064% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  19.14 +/- 1.40   0.004% *  0.0907% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.38 +/- 1.43   0.003% *  0.0400% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.283, support = 5.75, residual support = 39.0:
          HN    THR  118 - HN    ILE  119   2.64 +/- 0.13  96.745% * 59.5303% (0.28   5.83  39.49) =  98.044%  kept
          HN    GLN  116 - HN    ILE  119   4.73 +/- 0.25   2.994% * 38.3217% (0.53   1.98  13.60) =   1.953%  kept
          HN    GLU- 114 - HN    ILE  119   7.66 +/- 0.33   0.171% *  0.6954% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   8.92 +/- 0.51   0.076% *  0.0995% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.76 +/- 0.41   0.008% *  0.2197% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  16.14 +/- 1.21   0.002% *  0.6954% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.88 +/- 1.00   0.003% *  0.0314% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.93 +/- 0.61   0.000% *  0.2197% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  23.41 +/- 0.93   0.000% *  0.1222% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  22.10 +/- 0.83   0.000% *  0.0646% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.492, support = 2.62, residual support = 19.8:
          QE    PHE   59 - HN    ILE  119   3.77 +/- 0.59  83.396% * 24.5113% (0.22   3.00  22.88) =  65.047%  kept
          HN    HIS  122 - HN    ILE  119   5.16 +/- 0.13  15.648% * 69.9614% (1.00   1.91  14.22) =  34.837%  kept
          HN    PHE   59 - HN    ILE  119   8.37 +/- 0.29   0.875% *  4.1492% (0.57   0.20  22.88) =   0.116%
          HH2   TRP   87 - HN    CYS   21  14.78 +/- 2.64   0.036% *  0.2314% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  20.32 +/- 1.46   0.004% *  0.7323% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.36 +/- 1.07   0.012% *  0.1313% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  16.01 +/- 1.45   0.024% *  0.0516% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.01 +/- 0.90   0.004% *  0.2314% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 13.9:
          HN    ALA   20 - HN    CYS   21   4.25 +/- 0.09  99.995% * 99.7794% (0.95   2.86  13.95) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  22.09 +/- 0.92   0.005% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 55.4:
        T HN    ALA  120 - HN    ILE  119   2.61 +/- 0.06  98.230% * 99.4047% (1.00 10.00   5.58  55.36) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   6.05 +/- 1.31   1.696% *  0.0796% (0.80  1.00   0.02  13.60) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.00 +/- 0.91   0.020% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.72 +/- 0.22   0.021% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.14 +/- 1.89   0.029% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.71 +/- 1.02   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  18.06 +/- 1.10   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.02 +/- 2.66   0.001% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  21.91 +/- 1.94   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  19.18 +/- 3.10   0.001% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.50 +/- 1.86   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.51 +/- 1.44   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.31, residual support = 39.5:
          HB    THR  118 - HN    ILE  119   3.02 +/- 0.22  99.954% * 98.0504% (0.98   5.31  39.49) = 100.000%  kept
          HA    ILE   89 - HN    ILE  119  17.72 +/- 0.87   0.003% *  0.3380% (0.90   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  13.71 +/- 1.16   0.016% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  14.82 +/- 0.95   0.008% *  0.0910% (0.24   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.47 +/- 0.84   0.006% *  0.1068% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  15.82 +/- 1.38   0.006% *  0.0865% (0.23   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.83 +/- 1.24   0.001% *  0.2880% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  17.51 +/- 0.85   0.003% *  0.1068% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.92 +/- 1.33   0.001% *  0.3380% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  20.07 +/- 0.75   0.001% *  0.1167% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  25.12 +/- 1.09   0.000% *  0.2737% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  26.15 +/- 1.26   0.000% *  0.1550% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.96, residual support = 259.5:
          HG12  ILE  119 - HN    ILE  119   2.21 +/- 0.24  99.835% * 97.7621% (0.90   7.96 259.54) = 100.000%  kept
          HB2   ASP- 105 - HN    ILE  119   8.12 +/- 1.21   0.080% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.89 +/- 0.79   0.034% *  0.0836% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  11.32 +/- 0.76   0.007% *  0.2457% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21  10.10 +/- 0.57   0.012% *  0.0777% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.95 +/- 1.75   0.009% *  0.0799% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21  10.18 +/- 0.83   0.014% *  0.0456% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  15.55 +/- 1.06   0.001% *  0.2644% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  13.11 +/- 1.14   0.003% *  0.0693% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  15.87 +/- 2.52   0.001% *  0.0858% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  18.48 +/- 1.13   0.000% *  0.2716% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.52 +/- 1.34   0.001% *  0.1127% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  20.36 +/- 1.28   0.000% *  0.2194% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  22.53 +/- 1.63   0.000% *  0.2529% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.46 +/- 1.05   0.000% *  0.0777% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  19.43 +/- 2.47   0.001% *  0.0295% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  21.33 +/- 1.67   0.000% *  0.0356% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.54 +/- 0.98   0.000% *  0.1442% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.60 +/- 2.70   0.000% *  0.0935% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  21.21 +/- 0.77   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 259.5:
      O   HB    ILE  119 - HN    ILE  119   2.44 +/- 0.16  99.295% * 99.0354% (0.92  10.0   7.55 259.54) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.82 +/- 1.36   0.465% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.69 +/- 0.66   0.133% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119  10.03 +/- 1.11   0.027% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  10.13 +/- 1.27   0.031% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.70 +/- 0.63   0.006% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  13.97 +/- 1.71   0.004% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.82 +/- 0.63   0.015% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  10.89 +/- 0.27   0.014% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.79 +/- 0.99   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.11 +/- 0.74   0.004% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.19 +/- 1.57   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  18.15 +/- 1.99   0.001% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.10 +/- 1.41   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.62 +/- 1.67   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.90 +/- 1.24   0.001% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  20.27 +/- 1.00   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.67 +/- 1.83   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.91 +/- 1.02   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.42 +/- 1.23   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  18.03 +/- 0.77   0.001% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  22.36 +/- 1.42   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  25.71 +/- 1.16   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.58 +/- 0.89   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.947, support = 6.94, residual support = 246.0:
          HG13  ILE  119 - HN    ILE  119   3.16 +/- 0.55  60.798% * 85.4165% (0.99   7.14 259.54) =  94.522%  kept
          QB    ALA   20 - HN    CYS   21   3.54 +/- 0.04  31.130% *  8.4574% (0.19   3.66  13.95) =   4.792%  kept
          QG1   VAL  107 - HN    ILE  119   4.80 +/- 0.51   7.311% *  5.1457% (0.20   2.15   0.02) =   0.685%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.22 +/- 0.50   0.483% *  0.0602% (0.25   0.02   2.64) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.79 +/- 1.20   0.087% *  0.1464% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.64 +/- 0.55   0.170% *  0.0371% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  13.08 +/- 0.43   0.013% *  0.0761% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.85 +/- 0.91   0.001% *  0.1464% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.80 +/- 1.28   0.000% *  0.2408% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.53 +/- 1.63   0.001% *  0.0756% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  21.78 +/- 1.10   0.001% *  0.1175% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.82 +/- 0.63   0.003% *  0.0151% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  26.26 +/- 1.74   0.000% *  0.0463% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.23 +/- 1.35   0.000% *  0.0190% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.378, support = 0.0198, residual support = 5.48:
          HG3   LYS+  74 - HN    CYS   21   5.40 +/- 1.01  73.327% *  3.7747% (0.23   0.02   8.77) =  62.446%  kept
          QD1   LEU   67 - HN    ILE  119  10.49 +/- 2.36   3.182% * 15.1858% (0.92   0.02   0.02) =  10.902%  kept
          HB    VAL   75 - HN    CYS   21   7.82 +/- 0.50   9.419% *  3.9726% (0.24   0.02   0.02) =   8.442%  kept
          QD2   LEU   40 - HN    ILE  119  10.99 +/- 1.11   2.052% * 15.5616% (0.95   0.02   0.02) =   7.205%  kept
          QD1   LEU   67 - HN    CYS   21  10.07 +/- 1.93   3.980% *  4.7985% (0.29   0.02   0.02) =   4.309%  kept
          QG2   ILE  103 - HN    ILE  119  11.88 +/- 1.06   1.058% * 13.7407% (0.84   0.02   0.02) =   3.281%  kept
          QD2   LEU   71 - HN    CYS   21   8.91 +/- 0.80   5.438% *  1.2962% (0.08   0.02   0.02) =   1.590%  kept
          HB    VAL   75 - HN    ILE  119  15.00 +/- 0.74   0.213% * 12.5720% (0.76   0.02   0.02) =   0.604%  kept
          QD2   LEU   40 - HN    CYS   21  13.74 +/- 0.97   0.385% *  4.9173% (0.30   0.02   0.02) =   0.427%
          HG3   LYS+  74 - HN    ILE  119  17.60 +/- 1.48   0.093% * 11.9456% (0.73   0.02   0.02) =   0.251%
          QD1   ILE  103 - HN    ILE  119  13.94 +/- 1.06   0.373% *  2.8810% (0.18   0.02   0.02) =   0.243%
          QD2   LEU   71 - HN    ILE  119  16.02 +/- 1.23   0.170% *  4.1020% (0.25   0.02   0.02) =   0.157%
          QG2   ILE  103 - HN    CYS   21  16.91 +/- 0.52   0.102% *  4.3419% (0.26   0.02   0.02) =   0.100%
          QD1   ILE  103 - HN    CYS   21  15.24 +/- 0.87   0.207% *  0.9104% (0.06   0.02   0.02) =   0.043%
    Distance limit 3.49 A violated in 16 structures by 1.62 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.79, residual support = 39.5:
          QG2   THR  118 - HN    ILE  119   3.43 +/- 0.45  99.986% * 99.9070% (0.57   6.79  39.49) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.32 +/- 0.87   0.014% *  0.0930% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.777, support = 4.21, residual support = 52.4:
          QB    ALA  120 - HN    ILE  119   4.17 +/- 0.08  50.625% * 80.8669% (0.80   4.40  55.36) =  93.672%  kept
          HG    LEU   73 - HN    CYS   21   5.01 +/- 0.93  24.827% *  6.8708% (0.15   1.95  10.40) =   3.903%  kept
          HG    LEU  115 - HN    ILE  119   5.36 +/- 0.84  14.767% *  4.3554% (0.80   0.24   6.54) =   1.472%  kept
          HB3   LEU  115 - HN    ILE  119   5.76 +/- 0.54   8.038% *  5.1453% (0.95   0.24   6.54) =   0.946%  kept
          QG    LYS+  66 - HN    ILE  119   8.74 +/- 1.58   1.112% *  0.1416% (0.31   0.02   0.02) =   0.004%
          HG    LEU   67 - HN    ILE  119  12.17 +/- 2.55   0.250% *  0.4546% (0.99   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  13.70 +/- 1.47   0.051% *  0.4339% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.05 +/- 1.37   0.109% *  0.0803% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE  119  14.55 +/- 1.24   0.033% *  0.2597% (0.57   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  13.54 +/- 1.87   0.055% *  0.1437% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.37 +/- 1.07   0.016% *  0.1371% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  13.09 +/- 1.42   0.061% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.07 +/- 0.74   0.016% *  0.0821% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.20 +/- 2.00   0.005% *  0.2782% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  19.66 +/- 0.90   0.005% *  0.2233% (0.49   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  15.76 +/- 0.73   0.018% *  0.0447% (0.10   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  20.32 +/- 1.26   0.004% *  0.1371% (0.30   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.78 +/- 0.88   0.004% *  0.1161% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  21.57 +/- 1.53   0.003% *  0.1161% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.41 +/- 1.09   0.002% *  0.0879% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.961, support = 0.02, residual support = 0.02:
          QG2   VAL   75 - HN    CYS   21   6.18 +/- 0.70  83.064% * 39.0072% (1.00   0.02   0.02) =  92.775%  kept
          QG2   VAL   42 - HN    ILE  119   8.84 +/- 1.20  14.113% * 11.6857% (0.30   0.02   0.02) =   4.722%  kept
          QG2   VAL   42 - HN    CYS   21  11.75 +/- 0.91   2.134% * 36.9813% (0.95   0.02   0.02) =   2.260%  kept
          QG2   VAL   75 - HN    ILE  119  13.97 +/- 0.68   0.689% * 12.3258% (0.32   0.02   0.02) =   0.243%
    Distance limit 4.36 A violated in 19 structures by 1.60 A, eliminated.
    Peak unassigned.
 
    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   2.15 +/- 0.10  99.998% * 99.6430% (0.84  10.0   3.73  15.23) = 100.000%  kept
          HB3   LEU   31 - HN    ALA   20  14.38 +/- 0.47   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    ALA   20  18.11 +/- 0.74   0.000% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  20.03 +/- 0.63   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  23.79 +/- 1.41   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  20.47 +/- 1.71   0.000% *  0.0407% (0.34   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 = 3.68, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.23 +/- 0.32  99.998% * 99.7547% (0.99   3.68  25.43) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.53 +/- 0.79   0.002% *  0.2453% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.84, residual support = 171.6:
      O   HB    ILE   19 - HN    ILE   19   2.38 +/- 0.20  99.560% * 99.4048% (0.97  10.0   5.84 171.55) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.27 +/- 0.62   0.367% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.59 +/- 0.60   0.057% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.31 +/- 1.39   0.005% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.04 +/- 2.05   0.008% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.74 +/- 0.36   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.61 +/- 0.78   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  19.14 +/- 1.12   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  20.49 +/- 1.08   0.000% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  24.91 +/- 1.34   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.732, support = 5.85, residual support = 157.6:
          HG12  ILE   19 - HN    ILE   19   3.23 +/- 0.73  79.759% * 68.3778% (0.73   6.16 171.55) =  91.653%  kept
          HG    LEU   73 - HN    ILE   19   5.03 +/- 0.85  16.792% * 29.5584% (0.80   2.42   4.43) =   8.341%  kept
          HB3   LYS+  74 - HN    ILE   19   6.11 +/- 0.80   2.359% *  0.0535% (0.18   0.02   8.51) =   0.002%
          HB3   LEU   67 - HN    ILE   19   8.43 +/- 1.26   0.407% *  0.3055% (1.00   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE   19   9.51 +/- 1.13   0.210% *  0.2948% (0.97   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   19   9.05 +/- 1.78   0.299% *  0.0680% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  12.06 +/- 1.25   0.048% *  0.2552% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  12.52 +/- 0.54   0.032% *  0.2890% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.89 +/- 1.01   0.056% *  0.0943% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  12.90 +/- 1.03   0.028% *  0.0943% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  19.67 +/- 0.85   0.002% *  0.2446% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  19.72 +/- 1.20   0.002% *  0.2099% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  19.22 +/- 1.31   0.003% *  0.0943% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.22 +/- 2.48   0.003% *  0.0605% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.84, residual support = 171.5:
          HG13  ILE   19 - HN    ILE   19   3.01 +/- 0.53  94.539% * 97.9770% (0.97   5.84 171.55) =  99.981%  kept
          HG2   LYS+  74 - HN    ILE   19   6.70 +/- 1.13   3.593% *  0.3444% (0.99   0.02   8.51) =   0.013%
          HG    LEU   71 - HN    ILE   19   6.91 +/- 0.66   1.156% *  0.3406% (0.98   0.02   0.02) =   0.004%
          QG2   THR   39 - HN    ILE   19   8.13 +/- 0.70   0.314% *  0.2387% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   7.96 +/- 0.55   0.374% *  0.0470% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.43 +/- 0.82   0.005% *  0.3467% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  15.85 +/- 1.51   0.008% *  0.0866% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  16.52 +/- 0.96   0.004% *  0.1428% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  19.19 +/- 0.75   0.002% *  0.2387% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  17.70 +/- 0.95   0.003% *  0.1304% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  25.78 +/- 1.44   0.000% *  0.1072% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.86, residual support = 23.2:
          QG1   VAL   18 - HN    ILE   19   3.08 +/- 0.45  97.713% * 96.4022% (0.34   4.86  23.20) =  99.983%  kept
          QD1   LEU   71 - HN    ILE   19   6.70 +/- 0.59   1.560% *  0.7983% (0.69   0.02   0.02) =   0.013%
          QG1   VAL   70 - HN    ILE   19   8.08 +/- 1.28   0.710% *  0.5210% (0.45   0.02   0.02) =   0.004%
          QD1   LEU  123 - HN    ILE   19  15.32 +/- 1.29   0.009% *  0.7983% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  18.37 +/- 0.76   0.003% *  1.1215% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  17.20 +/- 1.43   0.005% *  0.3587% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.852, support = 4.94, residual support = 60.4:
          QG2   VAL   18 - HN    ILE   19   3.49 +/- 0.72  53.294% * 57.3940% (0.97   4.85  23.20) =  72.994%  kept
          QD1   ILE   19 - HN    ILE   19   3.89 +/- 0.44  28.180% * 37.6478% (0.57   5.43 171.55) =  25.318%  kept
          QD2   LEU   73 - HN    ILE   19   4.33 +/- 0.60  17.219% *  4.0915% (0.22   1.50   4.43) =   1.681%  kept
          QG1   VAL   41 - HN    ILE   19   7.35 +/- 0.86   0.767% *  0.2198% (0.90   0.02   0.02) =   0.004%
          QG1   VAL   43 - HN    ILE   19   8.13 +/- 0.96   0.379% *  0.2429% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19  11.09 +/- 1.31   0.079% *  0.2198% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE   19  10.79 +/- 0.69   0.072% *  0.0836% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.30 +/- 1.03   0.008% *  0.1007% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 4.23, residual support = 24.4:
          HG12  ILE   19 - HN    ALA   20   4.77 +/- 0.79  60.538% * 80.2182% (0.73   4.41  25.43) =  94.843%  kept
          HB3   LYS+  74 - HN    ALA   20   5.75 +/- 0.74  27.235% *  5.5950% (0.18   1.28   8.19) =   2.976%  kept
          HG    LEU   73 - HN    ALA   20   6.77 +/- 0.69  10.184% * 10.8896% (0.80   0.54   0.02) =   2.166%  kept
          QB    ALA   61 - HN    ALA   20  10.55 +/- 1.40   0.794% *  0.4836% (0.97   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ALA   20  12.40 +/- 1.34   0.317% *  0.5011% (1.00   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA   20  11.72 +/- 0.98   0.342% *  0.4185% (0.84   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ALA   20  15.13 +/- 0.82   0.067% *  0.4740% (0.95   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ALA   20  12.76 +/- 1.91   0.281% *  0.1116% (0.22   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.86 +/- 0.70   0.176% *  0.1546% (0.31   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   20  16.38 +/- 1.07   0.042% *  0.1546% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  21.66 +/- 1.14   0.008% *  0.4012% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.56 +/- 1.24   0.005% *  0.3442% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  22.23 +/- 1.36   0.007% *  0.1546% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.41 +/- 2.37   0.006% *  0.0992% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.461, support = 2.28, residual support = 9.23:
          HB3   LYS+  74 - HN    CYS   21   3.35 +/- 0.84  72.073% * 13.0123% (0.18   2.59   8.77) =  53.720%  kept
          HG    LEU   73 - HN    CYS   21   5.01 +/- 0.93  16.955% * 44.7133% (0.80   1.95  10.40) =  43.425%  kept
          HG12  ILE   19 - HN    CYS   21   7.07 +/- 0.33   1.256% * 36.3937% (0.73   1.75   0.02) =   2.619%  kept
          HB3   LEU  115 - HN    ILE  119   5.76 +/- 0.54   4.890% *  0.6631% (0.10   0.24   6.54) =   0.186%
          HG    LEU   80 - HN    CYS   21   7.65 +/- 1.07   0.979% *  0.4789% (0.84   0.02   0.02) =   0.027%
          QB    ALA   61 - HN    CYS   21   9.84 +/- 1.25   0.187% *  0.5533% (0.97   0.02   0.02) =   0.006%
          HD3   LYS+ 121 - HN    ILE  119   6.52 +/- 0.83   2.280% *  0.0359% (0.06   0.02   2.64) =   0.005%
          HB2   LEU   80 - HN    CYS   21   8.76 +/- 0.75   0.451% *  0.1770% (0.31   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    ILE  119   8.74 +/- 1.58   0.455% *  0.1714% (0.30   0.02   0.02) =   0.004%
          HB3   LEU   67 - HN    CYS   21  13.09 +/- 1.42   0.035% *  0.5734% (1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE  119  10.85 +/- 0.44   0.097% *  0.1748% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.57 +/- 0.93   0.094% *  0.1451% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.05 +/- 1.37   0.061% *  0.1812% (0.32   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  15.76 +/- 0.73   0.010% *  0.5424% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  13.54 +/- 1.87   0.029% *  0.1277% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  12.17 +/- 2.55   0.080% *  0.0403% (0.07   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.70 +/- 1.47   0.037% *  0.0559% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  19.37 +/- 1.10   0.003% *  0.4591% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.37 +/- 1.07   0.008% *  0.1770% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.41 +/- 1.09   0.001% *  0.3938% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  19.66 +/- 0.90   0.003% *  0.1451% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  20.20 +/- 2.00   0.003% *  0.1245% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  20.32 +/- 1.26   0.002% *  0.1770% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  20.93 +/- 1.69   0.002% *  0.1316% (0.23   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  22.48 +/- 1.91   0.001% *  0.1513% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.62 +/- 1.10   0.004% *  0.0317% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.54 +/- 2.34   0.001% *  0.1135% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  21.87 +/- 1.44   0.002% *  0.0559% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.03 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   2.46 +/- 0.48  99.983% * 99.5957% (0.48  10.0   3.17  84.31) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  11.37 +/- 1.65   0.014% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  19.74 +/- 2.38   0.001% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  19.42 +/- 2.17   0.001% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.37 +/- 2.72   0.001% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  18.33 +/- 1.75   0.001% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.43 +/- 2.65   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.20 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   4.44 +/- 0.05  99.204% * 99.9055% (0.73 10.00   5.47  50.05) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.21 +/- 0.84   0.796% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.20 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   4.44 +/- 0.05  99.285% * 99.7850% (0.89 10.00   5.47  50.05) =  99.999%  kept
          HD21  ASN   69 - HN    VAL   18  10.61 +/- 1.30   0.706% *  0.1079% (0.96  1.00   0.02   0.02) =   0.001%
          HN    TRP   87 - HN    VAL   18  21.18 +/- 1.08   0.009% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 8.51:
        T HN    LYS+  74 - HN    ILE   19   4.23 +/- 0.55  99.841% * 99.4791% (0.41 10.00   3.25   8.51) = 100.000%  kept
          HN    THR   46 - HN    ILE   19  13.24 +/- 0.84   0.134% *  0.2021% (0.84  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE   19  22.06 +/- 0.95   0.006% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  19.75 +/- 2.38   0.016% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  25.40 +/- 0.78   0.003% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 1 structures by 0.14 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.853, support = 2.85, residual support = 2.98:
          HN    THR   26 - HN    VAL   24   4.38 +/- 0.12  84.334% * 89.3257% (0.87   2.88   2.81) =  97.909%  kept
          HN    LEU   80 - HN    VAL   24   6.34 +/- 1.20  15.607% * 10.3088% (0.20   1.46  11.06) =   2.091%  kept
          HN    ALA   34 - HN    VAL   24  15.02 +/- 0.24   0.053% *  0.0969% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  21.51 +/- 1.29   0.007% *  0.2686% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 25.3:
          HN    THR   23 - HN    VAL   24   4.32 +/- 0.10  96.856% * 98.2416% (0.98   4.38  25.29) =  99.992%  kept
          HE3   TRP   27 - HN    VAL   24   8.50 +/- 0.20   1.694% *  0.3498% (0.76   0.02  25.68) =   0.006%
          HD2   HIS   22 - HN    VAL   24   8.76 +/- 0.18   1.394% *  0.1019% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  17.04 +/- 1.03   0.028% *  0.4537% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  18.50 +/- 1.89   0.019% *  0.1561% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  21.58 +/- 0.79   0.006% *  0.3144% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  24.36 +/- 1.15   0.003% *  0.3824% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 5.97:
          HE1   TRP   87 - HE1   TRP   27   5.28 +/- 2.84 100.000% *100.0000% (0.53   0.75   5.97) = 100.000%  kept
    Distance limit 3.98 A violated in 7 structures by 1.55 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.7:
        T HN    ALA   34 - HN    ASN   35   2.68 +/- 0.06  97.420% * 98.9220% (0.98 10.00   4.04  18.74) =  99.999%  kept
          HN    GLN   32 - HN    ASN   35   4.93 +/- 0.16   2.578% *  0.0531% (0.53  1.00   0.02   6.30) =   0.001%
        T HN    LEU   80 - HN    ASN   35  19.66 +/- 0.75   0.001% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.15 +/- 1.16   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  29.40 +/- 1.04   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.47 +/- 0.08  99.998% * 99.7690% (0.98 10.00   3.97  18.94) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.27 +/- 0.58   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  23.52 +/- 0.84   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.56 +/- 1.16   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.33, residual support = 23.2:
        T HN    LYS+  38 - HN    THR   39   2.74 +/- 0.08  99.966% * 99.8693% (1.00 10.00   5.33  23.16) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.43 +/- 0.32   0.033% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.50 +/- 0.69   0.001% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  30.22 +/- 0.65   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   3.38 +/- 0.36  99.292% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   7.91 +/- 0.25   0.708% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.73 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 = 0.385, support = 0.02, residual support = 0.02:
          HN    VAL   42 - HN    ASP-  44   6.04 +/- 0.37  50.549% * 21.4659% (0.38   0.02   0.02) =  50.058%  kept
          HN    LEU   73 - HN    ASP-  44   5.98 +/- 0.81  48.861% * 21.4659% (0.38   0.02   0.02) =  48.387%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.53 +/- 0.47   0.591% * 57.0681% (1.00   0.02   0.02) =   1.555%  kept
    Distance limit 4.17 A violated in 16 structures by 1.04 A, eliminated.
    Peak unassigned.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.15, residual support = 39.8:
          HN    VAL   42 - HN    VAL   43   4.15 +/- 0.14  91.974% * 83.3749% (0.38   6.23  40.43) =  98.457%  kept
          HN    LEU   73 - HN    VAL   43   6.70 +/- 0.77   7.532% * 15.9135% (0.38   1.19   1.30) =   1.539%  kept
          HN    LYS+ 106 - HN    VAL   43   9.94 +/- 0.32   0.494% *  0.7116% (1.00   0.02   0.02) =   0.005%
    Distance limit 4.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.715, support = 0.0199, residual support = 0.0199:
          HN    LEU   63 - HN    ASP-  44   8.00 +/- 0.71  82.997% * 15.3753% (0.65   0.02   0.02) =  76.922%  kept
          HN    ALA   84 - HN    ASP-  44  11.52 +/- 0.69  11.387% * 23.7147% (1.00   0.02   0.02) =  16.278%  kept
          HN    ILE   56 - HN    ASP-  44  13.91 +/- 0.78   3.344% * 18.1638% (0.76   0.02   0.02) =   3.661%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.53 +/- 1.68   1.889% * 23.7147% (1.00   0.02   0.02) =   2.700%  kept
          HE21  GLN   32 - HN    ASP-  44  19.97 +/- 0.90   0.382% * 19.0315% (0.80   0.02   0.02) =   0.439%
    Distance limit 4.17 A violated in 20 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.421, support = 0.739, residual support = 3.52:
          QD    PHE   60 - HN    ASP-  44   4.61 +/- 0.35  95.533% * 55.3363% (0.41   0.75   3.59) =  97.910%  kept
          QE    PHE   59 - HN    ASP-  44   9.13 +/- 1.65   2.794% * 38.8587% (0.92   0.23   0.02) =   2.011%  kept
          HN    LYS+  66 - HN    ASP-  44  10.06 +/- 0.65   1.004% *  3.2191% (0.90   0.02   0.02) =   0.060%
          HN    PHE   59 - HN    ASP-  44  11.33 +/- 0.49   0.451% *  2.0321% (0.57   0.02   0.02) =   0.017%
          HN    LYS+  81 - HN    ASP-  44  13.17 +/- 0.66   0.217% *  0.5538% (0.15   0.02   0.02) =   0.002%
    Distance limit 4.45 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.705, support = 0.02, residual support = 0.02:
          HD21  ASN   69 - HN    ASP-  62  14.81 +/- 1.72  42.575% * 36.0114% (0.77   0.02   0.02) =  47.214%  kept
          HN    GLN   17 - HN    ASP-  62  14.29 +/- 1.26  50.416% * 29.1578% (0.63   0.02   0.02) =  45.269%  kept
          HN    TRP   87 - HN    ASP-  62  20.03 +/- 0.64   7.008% * 34.8308% (0.75   0.02   0.02) =   7.517%  kept
    Distance limit 3.37 A violated in 20 structures by 9.26 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.84, residual support = 42.4:
        T HN    LEU   63 - HN    ASP-  62   2.60 +/- 0.09  99.956% * 98.0197% (0.32 10.00   5.84  42.39) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.76 +/- 0.59   0.039% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  14.40 +/- 2.04   0.005% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  18.83 +/- 0.73   0.001% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.83 +/- 1.09   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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  10.23 +/- 0.88  98.452% * 48.0011% (0.92   0.02   0.02) =  98.325%  kept
          HN    ALA  110 - HN    LEU   73  20.68 +/- 1.52   1.548% * 51.9989% (1.00   0.02   0.02) =   1.675%  kept
    Distance limit 3.93 A violated in 20 structures by 6.27 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.405, support = 3.85, residual support = 20.4:
          HN    VAL   75 - HN    ASP-  76   4.36 +/- 0.06  72.606% * 48.5960% (0.28   4.64  27.20) =  71.697%  kept
          HN    ASP-  78 - HN    ASP-  76   5.16 +/- 0.28  27.387% * 50.8569% (0.73   1.86   3.19) =  28.303%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.47 +/- 1.02   0.005% *  0.3376% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  28.41 +/- 3.02   0.001% *  0.2094% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.35, residual support = 28.1:
        T HN    LYS+ 111 - HN    LYS+ 112   4.31 +/- 0.14  97.763% * 99.6886% (0.87 10.00   5.35  28.08) =  99.999%  kept
          HN    ILE   56 - HN    LYS+ 112   8.63 +/- 1.37   2.168% *  0.0559% (0.49  1.00   0.02   6.71) =   0.001%
          HN    LEU   63 - HN    LYS+ 112  14.88 +/- 1.08   0.063% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.59 +/- 1.21   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  36.72 +/- 0.97   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.341, support = 0.02, residual support = 0.02:
          QD    PHE   55 - HN    GLN  116   6.95 +/- 0.82  89.915% * 11.5373% (0.28   0.02   0.02) =  81.198%  kept
          QD    PHE   60 - HN    GLN  116  11.35 +/- 1.26   8.344% * 26.8436% (0.65   0.02   0.02) =  17.531%  kept
          HN    LYS+  66 - HN    GLN  116  14.00 +/- 1.14   1.616% *  8.2119% (0.20   0.02   0.02) =   1.039%  kept
          HN    LYS+  81 - HN    GLN  116  24.90 +/- 1.05   0.048% * 39.2529% (0.95   0.02   0.02) =   0.147%
          HE3   TRP   27 - HN    GLN  116  23.02 +/- 0.89   0.077% * 14.1544% (0.34   0.02   0.02) =   0.085%
    Distance limit 4.24 A violated in 20 structures by 2.56 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.796, support = 5.93, residual support = 53.4:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  81.200% * 85.8321% (0.80  10.0   6.01  55.36) =  96.395%  kept
          HA    THR  118 - HN    ALA  120   4.64 +/- 0.17  18.714% * 13.9277% (0.67   1.0   3.88   0.14) =   3.605%  kept
          HD3   PRO   58 - HN    ALA  120  11.84 +/- 0.41   0.068% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.81 +/- 0.88   0.013% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  19.80 +/- 0.74   0.003% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.22 +/- 0.88   0.002% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.37 +/- 1.16   0.001% *  0.0792% (0.74   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.53:
          HA    SER  117 - HN    ALA  120   3.45 +/- 0.19  99.891% * 95.2241% (0.92   0.75   5.53) =  99.999%  kept
          HA    ASP-  62 - HN    ALA  120  11.48 +/- 0.78   0.079% *  1.3390% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  13.79 +/- 0.91   0.028% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.11 +/- 0.99   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  28.13 +/- 0.99   0.000% *  1.9449% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.08, residual support = 115.0:
      O   HG3   GLN  116 - HE21  GLN  116   3.24 +/- 0.49  99.996% * 99.8198% (0.69  10.0   4.08 115.03) = 100.000%  kept
          HB3   TRP   87 - HE21  GLN  116  22.35 +/- 1.22   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HE21  GLN  116  19.20 +/- 1.04   0.003% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.20 +/- 2.57   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.557, support = 3.46, residual support = 90.5:
          HG    LEU  115 - HE21  GLN  116   5.58 +/- 1.40  44.531% * 24.1541% (0.41   3.56 102.48) =  61.068%  kept
          HB3   LEU  115 - HE21  GLN  116   7.44 +/- 1.26   6.915% * 69.4636% (0.95   4.44 102.48) =  27.271%  kept
          QB    ALA  120 - HE21  GLN  116   5.55 +/- 1.49  45.678% *  4.4860% (0.41   0.66   0.02) =  11.634%  kept
          QG    LYS+  66 - HE21  GLN  116  10.28 +/- 2.27   1.538% *  0.2270% (0.69   0.02   0.02) =   0.020%
          QB    ALA   61 - HE21  GLN  116  11.99 +/- 1.91   0.445% *  0.1127% (0.34   0.02   0.02) =   0.003%
          QB    ALA  110 - HE21  GLN  116  10.69 +/- 1.19   0.719% *  0.0579% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  16.09 +/- 2.73   0.074% *  0.2867% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  16.10 +/- 2.05   0.056% *  0.1609% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  18.96 +/- 1.62   0.020% *  0.3127% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  23.95 +/- 1.78   0.005% *  0.2867% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  19.62 +/- 1.45   0.015% *  0.0736% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  25.63 +/- 1.80   0.003% *  0.3127% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  26.14 +/- 2.07   0.003% *  0.0654% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.389, support = 0.982, residual support = 0.558:
          HB    ILE  119 - HN    SER  117   5.37 +/- 0.36  36.236% * 50.9358% (0.20   1.58   0.94) =  53.984%  kept
          QB    GLU- 114 - HN    SER  117   4.96 +/- 0.15  56.247% * 27.5402% (0.61   0.28   0.11) =  45.308%  kept
          HB2   LYS+ 111 - HN    SER  117   7.12 +/- 0.75   7.392% *  3.2433% (1.00   0.02   0.02) =   0.701%  kept
          HG2   PRO   68 - HN    SER  117  16.06 +/- 1.99   0.064% *  1.4573% (0.45   0.02   0.02) =   0.003%
          HB3   PRO   68 - HN    SER  117  17.69 +/- 1.86   0.033% *  2.7150% (0.84   0.02   0.02) =   0.003%
          HB2   GLN   17 - HN    SER  117  22.76 +/- 1.29   0.006% *  3.2433% (1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  23.64 +/- 1.08   0.005% *  3.2433% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  23.93 +/- 0.85   0.005% *  1.7102% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  25.94 +/- 1.70   0.003% *  1.4573% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.63 +/- 1.40   0.005% *  0.8105% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  32.28 +/- 0.85   0.001% *  3.0006% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  25.25 +/- 1.46   0.003% *  0.6433% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.857, support = 2.28, residual support = 3.07:
          HG    LEU  115 - HN    SER  117   5.24 +/- 0.73  34.430% * 34.6514% (0.84   2.54   1.94) =  43.155%  kept
          QB    ALA  120 - HN    SER  117   4.79 +/- 0.49  50.123% * 17.4061% (0.84   1.27   5.53) =  31.558%  kept
          HB3   LEU  115 - HN    SER  117   5.90 +/- 0.35  14.984% * 46.6491% (0.92   3.09   1.94) =  25.284%  kept
          QG    LYS+  66 - HN    SER  117  12.00 +/- 1.50   0.283% *  0.0909% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.99 +/- 2.61   0.070% *  0.3204% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.71 +/- 1.47   0.031% *  0.3018% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.80 +/- 1.22   0.020% *  0.1983% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  15.85 +/- 1.44   0.048% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.64 +/- 1.88   0.006% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  22.83 +/- 0.93   0.004% *  0.1466% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 3.09, residual support = 17.8:
          HB2   PHE   97 - HN    LEU  104   3.31 +/- 0.44  92.899% * 82.2046% (1.00   3.12  18.01) =  98.602%  kept
          QE    LYS+ 106 - HN    LEU  104   5.72 +/- 0.97   6.485% * 16.6826% (0.76   0.83   0.02) =   1.397%  kept
          QE    LYS+  99 - HN    LEU  104   8.09 +/- 0.69   0.573% *  0.1981% (0.38   0.02  17.00) =   0.001%
          HB3   PHE   60 - HN    LEU  104  15.33 +/- 1.05   0.015% *  0.2989% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU  104  17.02 +/- 0.89   0.007% *  0.5233% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.88 +/- 0.97   0.021% *  0.0925% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.955, support = 5.53, residual support = 36.0:
          HG12  ILE  103 - HN    LEU  104   3.94 +/- 0.36  88.785% * 83.0607% (0.97   5.60  36.79) =  97.926%  kept
          QB    LYS+ 102 - HN    LEU  104   5.83 +/- 0.37  10.101% * 15.4283% (0.49   2.06   0.02) =   2.069%  kept
          HB    VAL   41 - HN    LEU  104   8.78 +/- 0.89   0.953% *  0.3073% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    LEU  104  14.50 +/- 1.40   0.054% *  0.2907% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  15.80 +/- 0.74   0.023% *  0.2231% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  14.27 +/- 0.76   0.045% *  0.1048% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  16.68 +/- 1.53   0.019% *  0.2348% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  16.96 +/- 0.75   0.016% *  0.1153% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.14 +/- 1.19   0.003% *  0.2348% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.607, support = 1.93, residual support = 32.0:
          QB    LEU   98 - HN    ILE  103   3.92 +/- 0.70  99.682% * 89.6602% (0.61   1.93  31.98) =  99.996%  kept
          HD3   LYS+ 121 - HN    ILE  103  13.75 +/- 2.02   0.164% *  1.3749% (0.90   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ILE  103  18.45 +/- 1.31   0.020% *  1.5027% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  16.25 +/- 1.30   0.041% *  0.6303% (0.41   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE  103  17.67 +/- 1.52   0.019% *  1.2276% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  18.73 +/- 2.09   0.012% *  1.3298% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  18.89 +/- 1.57   0.014% *  1.1716% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  18.45 +/- 0.90   0.014% *  0.8679% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.10 +/- 0.77   0.008% *  1.3298% (0.87   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.18 +/- 1.58   0.025% *  0.3823% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.64 +/- 2.10   0.003% *  0.5229% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 1 structures by 0.15 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.681, support = 5.09, residual support = 34.6:
          QD2   LEU  104 - HN    ILE  103   5.09 +/- 0.77  22.311% * 79.2187% (1.00   5.56  36.79) =  53.922%  kept
          QD1   LEU   98 - HN    ILE  103   3.86 +/- 0.66  75.524% * 19.9959% (0.31   4.55  31.98) =  46.073%  kept
          QG1   VAL   43 - HN    ILE  103   8.05 +/- 0.87   1.234% *  0.0972% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    ILE  103   8.64 +/- 0.83   0.887% *  0.0564% (0.20   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  16.17 +/- 0.92   0.017% *  0.2749% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.22 +/- 0.75   0.017% *  0.1613% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.60 +/- 1.03   0.010% *  0.1957% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.89, residual support = 216.5:
          QD1   LEU  104 - HN    LEU  104   3.75 +/- 0.58  97.167% * 97.1296% (0.41   6.89 216.51) =  99.989%  kept
          QD2   LEU   63 - HN    LEU  104   8.95 +/- 1.04   0.811% *  0.4977% (0.73   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU  104   9.56 +/- 0.84   0.486% *  0.6614% (0.97   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    LEU  104   8.16 +/- 0.76   1.352% *  0.1356% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU  104  13.19 +/- 1.03   0.088% *  0.6614% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU  104  13.82 +/- 1.07   0.071% *  0.4708% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  104  16.09 +/- 1.32   0.025% *  0.4434% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.621, support = 4.58, residual support = 19.2:
          QD1   LEU   98 - HN    ASP- 105   5.27 +/- 0.78  33.225% * 73.1638% (0.95   3.26   5.47) =  57.820%  kept
          QD2   LEU  104 - HN    ASP- 105   4.51 +/- 0.35  66.748% * 26.5674% (0.18   6.39  38.06) =  42.180%  kept
          QG2   ILE   19 - HN    ASP- 105  16.70 +/- 0.70   0.027% *  0.2689% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 136.2:
          HG3   LYS+ 106 - HN    LYS+ 106   3.11 +/- 0.64  97.935% * 95.5320% (0.90   4.02 136.21) =  99.997%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.57 +/- 1.42   1.414% *  0.0928% (0.18   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+ 106  10.80 +/- 0.87   0.107% *  0.5290% (1.00   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   9.60 +/- 0.50   0.194% *  0.2180% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  13.13 +/- 1.18   0.039% *  0.5255% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  11.63 +/- 0.97   0.099% *  0.1808% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.84 +/- 0.82   0.148% *  0.1180% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.40 +/- 0.70   0.018% *  0.5116% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.30 +/- 1.04   0.022% *  0.1636% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  18.76 +/- 1.41   0.004% *  0.5290% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.08 +/- 0.79   0.003% *  0.5290% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.58 +/- 1.23   0.012% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  22.00 +/- 1.07   0.001% *  0.5197% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  19.52 +/- 0.51   0.003% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.83 +/- 2.09   0.000% *  0.3642% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.57 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   4.44 +/- 0.56  99.353% * 97.0527% (0.53   2.85  26.85) =  99.995%  kept
          HG    LEU   63 - HN    LYS+ 106  11.30 +/- 1.04   0.418% *  0.9390% (0.73   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HN    LYS+ 106  14.71 +/- 0.84   0.099% *  0.3991% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 106  17.85 +/- 1.11   0.035% *  1.1217% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.65 +/- 1.35   0.072% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.74 +/- 1.37   0.023% *  0.2879% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 1 structures by 0.13 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 65.2:
          QG1   VAL  108 - HN    VAL  108   3.62 +/- 0.07  99.823% * 99.4338% (0.98   4.52  65.16) = 100.000%  kept
          HB3   LEU   63 - HN    VAL  108  12.69 +/- 1.59   0.107% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   40 - HN    VAL  108  13.56 +/- 0.71   0.039% *  0.2183% (0.49   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.30 +/- 2.61   0.032% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 2.86, residual support = 7.75:
          QG2   ILE   89 - HN    ALA   91   3.39 +/- 0.58  94.229% * 99.3836% (1.00   2.86   7.75) =  99.997%  kept
          QG1   VAL   83 - HN    TRP   27   6.08 +/- 0.66   5.611% *  0.0451% (0.07   0.02   2.63) =   0.003%
          QG1   VAL   83 - HN    ALA   91  11.16 +/- 0.67   0.097% *  0.3652% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  12.79 +/- 0.65   0.050% *  0.0858% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  17.85 +/- 1.28   0.006% *  0.1071% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.50 +/- 1.08   0.008% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.3, residual support = 39.6:
          HG3   LYS+  99 - HN    GLU- 100   3.92 +/- 0.48  69.235% * 94.9678% (0.45   5.32  39.76) =  99.699%  kept
          QB    ALA   34 - HN    GLU- 100   5.28 +/- 1.03  19.149% *  0.5787% (0.73   0.02   0.02) =   0.168%
          QG2   THR   39 - HN    GLU- 100   6.00 +/- 0.48   6.070% *  0.7538% (0.95   0.02   0.02) =   0.069%
          HG3   LYS+  38 - HN    GLU- 100   6.64 +/- 0.99   5.099% *  0.7899% (0.99   0.02   0.02) =   0.061%
          HG    LEU   71 - HN    GLU- 100  10.00 +/- 1.45   0.396% *  0.2991% (0.38   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    GLU- 100  14.54 +/- 1.57   0.030% *  0.5155% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  19.47 +/- 1.59   0.006% *  0.7147% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.16 +/- 1.41   0.004% *  0.7538% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  17.96 +/- 0.96   0.008% *  0.3276% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.90 +/- 0.78   0.004% *  0.2991% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.55:
          QB    ALA   84 - HN    LYS+  81   4.48 +/- 0.13  99.520% * 76.1174% (0.57   0.99   5.55) =  99.989%  kept
          HB3   LEU   73 - HN    LYS+  81  13.42 +/- 1.26   0.187% *  2.5148% (0.92   0.02   0.02) =   0.006%
          HB3   PRO   93 - HN    LYS+  81  16.36 +/- 1.06   0.047% *  1.6523% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  14.32 +/- 0.70   0.102% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  18.68 +/- 0.79   0.020% *  2.3631% (0.87   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HN    LYS+  81  20.11 +/- 1.33   0.013% *  2.7242% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  17.92 +/- 1.11   0.026% *  1.2213% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  20.32 +/- 1.75   0.013% *  2.3631% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.12 +/- 1.28   0.010% *  2.1814% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  17.57 +/- 0.98   0.029% *  0.5391% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  24.63 +/- 1.81   0.004% *  2.5770% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  18.70 +/- 1.39   0.021% *  0.4203% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.07 +/- 1.71   0.003% *  2.6703% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.05 +/- 1.94   0.004% *  1.1200% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  27.82 +/- 0.99   0.002% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.37 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.89, residual support = 214.8:
          QD1   ILE   89 - HN    ILE   89   3.05 +/- 0.48  96.576% * 99.3842% (0.92   5.89 214.85) =  99.987%  kept
          QG2   VAL   83 - HN    ILE   89   6.00 +/- 0.78   3.392% *  0.3647% (1.00   0.02   0.02) =   0.013%
          QD2   LEU   31 - HN    ILE   89  12.19 +/- 0.55   0.032% *  0.2511% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.375, support = 3.73, residual support = 9.14:
          QB    ALA   88 - HN    ILE   89   3.50 +/- 0.37  56.958% * 57.8703% (0.34   4.49   7.50) =  68.035%  kept
          QB    ALA   84 - HN    ILE   89   3.83 +/- 0.51  42.801% * 36.1797% (0.45   2.13  12.65) =  31.962%  kept
          HB3   LEU   80 - HN    ILE   89   9.67 +/- 0.98   0.152% *  0.7412% (0.98   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ILE   89  13.04 +/- 0.82   0.021% *  0.6316% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  12.14 +/- 0.41   0.031% *  0.3109% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  13.52 +/- 1.69   0.021% *  0.4281% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  16.80 +/- 1.95   0.005% *  0.7412% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  16.57 +/- 0.76   0.005% *  0.7545% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  16.76 +/- 1.10   0.005% *  0.6981% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.71 +/- 1.58   0.001% *  0.6055% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  24.80 +/- 1.67   0.000% *  0.5194% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  24.86 +/- 1.19   0.000% *  0.5194% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.68, support = 3.83, residual support = 34.2:
          QB    ALA   91 - HN    GLN   90   4.13 +/- 0.57  61.644% * 61.1544% (0.84   3.04  32.35) =  73.452%  kept
          HG12  ILE   89 - HN    GLN   90   4.58 +/- 0.49  37.870% * 35.9766% (0.25   6.00  39.46) =  26.546%  kept
          QG2   ILE   56 - HN    GLN   90  10.67 +/- 1.66   0.375% *  0.1806% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  15.37 +/- 2.37   0.045% *  0.4441% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    GLN   90  14.52 +/- 1.71   0.040% *  0.0952% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  20.38 +/- 1.32   0.005% *  0.4019% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  22.32 +/- 1.85   0.003% *  0.4811% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  17.60 +/- 1.02   0.012% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.58 +/- 1.44   0.002% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  23.89 +/- 1.43   0.002% *  0.4315% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  27.69 +/- 1.54   0.001% *  0.2724% (0.57   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 = 5.58, residual support = 90.0:
      O   HB2   GLN   90 - HN    GLN   90   3.80 +/- 0.39  99.858% * 99.4917% (0.73  10.0   5.58  89.96) = 100.000%  kept
          HB3   GLU-  79 - HN    GLN   90  13.30 +/- 2.14   0.132% *  0.1343% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLN   90  23.12 +/- 1.45   0.003% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  25.08 +/- 1.23   0.002% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  22.94 +/- 1.61   0.003% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  24.62 +/- 1.27   0.002% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  27.98 +/- 1.15   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.18, residual support = 41.0:
          QD2   LEU   73 - HN    PHE   72   5.29 +/- 0.64  21.768% * 93.4213% (0.87   5.53  43.99) =  93.243%  kept
          QG1   VAL   41 - HN    PHE   72   5.40 +/- 0.87  25.370% *  5.5167% (0.76   0.37   0.02) =   6.417%  kept
          QG2   VAL   18 - HN    PHE   72   4.57 +/- 0.64  48.664% *  0.1328% (0.34   0.02   2.61) =   0.296%
          QG1   VAL   43 - HN    PHE   72   7.11 +/- 0.68   3.671% *  0.2204% (0.57   0.02   0.02) =   0.037%
          HG    LEU   31 - HN    PHE   72  10.77 +/- 1.02   0.325% *  0.3757% (0.97   0.02   0.02) =   0.006%
          QG2   THR   46 - HN    PHE   72  11.99 +/- 1.02   0.166% *  0.0971% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  15.16 +/- 0.75   0.035% *  0.2361% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.12, residual support = 31.0:
          QB    ALA   64 - HN    PHE   72   4.72 +/- 0.56  99.935% * 99.8347% (1.00   2.12  30.96) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.52 +/- 0.48   0.065% *  0.1653% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 1 structures by 0.29 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.5:
          HB    ILE   19 - HN    LYS+  74   4.56 +/- 0.45  97.541% * 95.9634% (0.71   2.61   8.51) =  99.988%  kept
          HB2   GLN   17 - HN    LYS+  74   9.48 +/- 0.86   1.639% *  0.4465% (0.43   0.02   0.02) =   0.008%
          HB3   GLU-  25 - HN    LYS+  74  12.72 +/- 0.70   0.270% *  0.5894% (0.57   0.02   0.02) =   0.002%
          QB    GLU-  15 - HN    LYS+  74  12.22 +/- 0.80   0.302% *  0.4465% (0.43   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  15.99 +/- 1.04   0.073% *  0.7215% (0.69   0.02   0.02) =   0.001%
          HB3   PRO   68 - HN    LYS+  74  15.97 +/- 1.63   0.094% *  0.1836% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.91 +/- 0.76   0.023% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  17.81 +/- 0.91   0.031% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  19.50 +/- 0.99   0.021% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  23.80 +/- 1.31   0.006% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 1 structures by 0.20 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.35, residual support = 40.1:
          QD1   LEU   73 - HN    LYS+  74   4.19 +/- 0.63  89.427% * 97.0837% (0.37   5.35  40.10) =  99.929%  kept
          QD2   LEU   80 - HN    LYS+  74   7.19 +/- 1.40   8.443% *  0.6187% (0.64   0.02   0.02) =   0.060%
          QG1   VAL   83 - HN    LYS+  74   9.37 +/- 1.02   1.072% *  0.5272% (0.54   0.02   0.02) =   0.007%
          QD1   LEU   63 - HN    LYS+  74  10.13 +/- 0.80   0.690% *  0.3629% (0.37   0.02   0.02) =   0.003%
          QG2   ILE   89 - HN    LYS+  74  11.68 +/- 0.83   0.283% *  0.1208% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  74  15.39 +/- 0.78   0.048% *  0.6883% (0.71   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  74  16.46 +/- 1.13   0.036% *  0.5984% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 4.58, residual support = 28.0:
          QG2   THR   77 - HN    ASP-  78   3.87 +/- 0.66  86.584% * 78.2574% (0.34   4.61  28.16) =  99.241%  kept
          HB3   LEU   80 - HN    ASP-  78   7.37 +/- 0.92   3.202% * 15.6334% (0.69   0.46   3.43) =   0.733%  kept
          QB    ALA   84 - HN    ASP-  78   5.95 +/- 0.89   9.719% *  0.1536% (0.15   0.02   0.02) =   0.022%
          HB3   ASP-  44 - HN    ASP-  78  10.36 +/- 0.53   0.311% *  0.4462% (0.45   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    ASP-  78  12.40 +/- 1.07   0.109% *  0.7227% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    ASP-  78  14.48 +/- 1.42   0.044% *  0.5635% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  18.63 +/- 1.02   0.009% *  0.8313% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  20.70 +/- 2.17   0.005% *  0.8925% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  17.63 +/- 1.07   0.012% *  0.2216% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  24.94 +/- 0.81   0.002% *  0.9952% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  27.34 +/- 0.83   0.001% *  0.9755% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  24.75 +/- 1.07   0.002% *  0.3072% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   6.43 +/- 1.38  97.266% * 32.6601% (0.92   0.02   0.02) =  97.108%  kept
          QG1   VAL   42 - HN    ASP-  78  12.81 +/- 0.77   2.635% * 34.6797% (0.98   0.02   0.02) =   2.793%  kept
          HG2   LYS+ 112 - HN    ASP-  78  21.14 +/- 2.19   0.099% * 32.6601% (0.92   0.02   0.02) =   0.099%
    Distance limit 4.46 A violated in 14 structures by 1.93 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.575, support = 4.35, residual support = 24.9:
          HB    THR   77 - HN    ASP-  78   3.91 +/- 0.19  81.249% * 37.3942% (0.45   4.61  28.16) =  73.343%  kept
          HA    GLU-  79 - HN    ASP-  78   5.04 +/- 0.11  18.135% * 60.8814% (0.92   3.65  16.00) =  26.653%  kept
          HA    ALA   57 - HN    ASP-  78  11.40 +/- 1.51   0.181% *  0.3245% (0.90   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  12.63 +/- 1.75   0.105% *  0.3610% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  10.71 +/- 0.54   0.203% *  0.1358% (0.38   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.87 +/- 1.05   0.119% *  0.1622% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  20.49 +/- 1.04   0.004% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  24.65 +/- 0.39   0.001% *  0.3492% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  23.84 +/- 1.22   0.002% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  31.95 +/- 2.38   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 38.4:
      O   HA    ASP-  78 - HN    ASP-  78   2.80 +/- 0.04  99.553% * 99.8154% (1.00  10.0   4.57  38.35) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.23 +/- 0.62   0.397% *  0.0486% (0.49   1.0   0.02   3.43) =   0.000%
          HA    THR   23 - HN    ASP-  78  10.53 +/- 0.77   0.039% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  13.07 +/- 0.78   0.010% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  21.34 +/- 1.17   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.08, residual support = 216.0:
      O   HA    ILE  119 - HN    ILE  119   2.83 +/- 0.01  78.782% * 50.7779% (1.00  10.0   8.76 259.54) =  80.213%  kept
      O   HA    THR  118 - HN    ILE  119   3.56 +/- 0.04  20.137% * 49.0042% (0.97  10.0   5.31  39.49) =  19.787%  kept
          HA    VAL   75 - HN    CYS   21   5.95 +/- 0.53   1.062% *  0.0028% (0.06   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ILE  119  13.53 +/- 0.88   0.007% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  13.77 +/- 0.80   0.006% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  19.84 +/- 0.85   0.001% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.00 +/- 1.10   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.24 +/- 0.96   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  17.74 +/- 0.75   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.03 +/- 1.39   0.001% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.09 +/- 1.11   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.96 +/- 1.39   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.716, support = 5.5, residual support = 31.5:
          HB2   CYS   53 - HN    ARG+  54   3.43 +/- 0.24  86.349% * 83.8654% (0.72   5.55  31.95) =  98.434%  kept
          HD3   PRO   52 - HN    ARG+  54   5.17 +/- 0.17   7.740% * 14.6635% (0.26   2.67   1.75) =   1.543%  kept
          HD2   PRO   58 - HN    ARG+  54   6.45 +/- 1.13   4.429% *  0.3653% (0.87   0.02   0.02) =   0.022%
          HD2   PRO   58 - HN    ASP-  62   6.98 +/- 0.43   1.318% *  0.0684% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  10.45 +/- 0.91   0.145% *  0.0566% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  21.19 +/- 1.26   0.002% *  0.3433% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.03 +/- 0.94   0.010% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  20.56 +/- 1.02   0.002% *  0.0642% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  21.84 +/- 0.84   0.001% *  0.0619% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  30.34 +/- 0.82   0.000% *  0.3306% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.20 +/- 1.10   0.002% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  27.80 +/- 1.05   0.000% *  0.1350% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.889, support = 0.0275, residual support = 0.0199:
          QG2   THR   46 - HN    ALA   61   6.03 +/- 0.94  65.464% *  7.9770% (0.87   0.02   0.02) =  58.949%  kept
          QG2   VAL   18 - HN    ALA   61   7.30 +/- 1.25  28.620% *  8.6992% (0.95   0.02   0.02) =  28.105%  kept
          QG1   VAL   43 - HN    ALA   61  10.86 +/- 0.49   2.520% * 36.0323% (1.00   0.08   0.02) =  10.249%  kept
          QD1   ILE   19 - HN    ALA   61  14.02 +/- 0.93   0.469% * 29.6066% (0.53   0.12   0.02) =   1.566%  kept
          QD2   LEU   73 - HN    ALA   61  11.03 +/- 1.15   2.191% *  2.2931% (0.25   0.02   0.02) =   0.567%  kept
          QG1   VAL   41 - HN    ALA   61  14.06 +/- 0.84   0.486% *  8.4891% (0.92   0.02   0.02) =   0.466%
          QD2   LEU  104 - HN    ALA   61  16.77 +/- 1.16   0.171% *  3.4514% (0.38   0.02   0.02) =   0.067%
          HG    LEU   31 - HN    ALA   61  18.78 +/- 1.32   0.080% *  3.4514% (0.38   0.02   0.02) =   0.031%
    Distance limit 4.54 A violated in 12 structures by 1.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 52.1:
          QB    GLU-  36 - HN    ASN   35   4.10 +/- 0.07  94.998% * 98.3845% (0.92   4.96  52.11) =  99.991%  kept
          HB2   LYS+  38 - HN    ASN   35   7.00 +/- 0.32   4.085% *  0.1195% (0.28   0.02   0.02) =   0.005%
          HB3   GLU-  29 - HN    ASN   35   9.56 +/- 0.55   0.630% *  0.4259% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.06 +/- 0.76   0.280% *  0.3120% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  20.43 +/- 0.87   0.007% *  0.3727% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  26.50 +/- 0.99   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 45.3:
      O   QB    MET   11 - HN    MET   11   3.02 +/- 0.37  99.904% * 99.3665% (0.69  10.0   3.00  45.35) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.70 +/- 0.82   0.067% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.98 +/- 1.30   0.023% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  19.46 +/- 4.23   0.005% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  29.22 +/- 3.35   0.000% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  27.40 +/- 4.19   0.000% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  27.90 +/- 2.64   0.000% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  36.10 +/- 3.08   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  41.24 +/- 3.10   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  39.94 +/- 4.10   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 45.3:
          HG2   MET   11 - HN    MET   11   4.02 +/- 0.51  99.631% * 97.3781% (0.92   3.31  45.35) =  99.998%  kept
          HB2   GLU-  14 - HN    MET   11  11.31 +/- 1.52   0.348% *  0.6025% (0.95   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    MET   11  20.83 +/- 3.26   0.012% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  23.19 +/- 3.39   0.006% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  34.25 +/- 3.95   0.001% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  29.47 +/- 3.58   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  41.39 +/- 4.48   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  36.71 +/- 3.05   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 45.3:
          HG3   MET   11 - HN    MET   11   3.05 +/- 0.53  99.933% * 98.0255% (0.92   3.31  45.35) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.42 +/- 1.29   0.064% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  22.23 +/- 3.27   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  24.75 +/- 3.08   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  32.37 +/- 4.13   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  25.45 +/- 2.17   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  32.01 +/- 2.35   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  40.88 +/- 3.04   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 0.0199, residual support = 0.0199:
          HG2   LYS+  33 - HN    MET   11  19.34 +/- 2.84  67.414% * 22.9200% (1.00   0.02   0.02) =  79.212%  kept
          HD3   LYS+  74 - HN    MET   11  24.53 +/- 3.14  19.428% * 12.0587% (0.53   0.02   0.02) =  12.010%  kept
          QG    LYS+  81 - HN    MET   11  30.95 +/- 3.05   3.945% * 19.1444% (0.84   0.02   0.02) =   3.871%  kept
          HG    LEU  104 - HN    MET   11  32.19 +/- 2.32   3.487% *  8.6021% (0.38   0.02   0.02) =   1.538%  kept
          HB3   LYS+ 121 - HN    MET   11  33.52 +/- 2.93   3.343% *  8.6021% (0.38   0.02   0.02) =   1.474%  kept
          HG2   LYS+ 106 - HN    MET   11  36.36 +/- 2.58   1.629% * 17.5161% (0.76   0.02   0.02) =   1.463%  kept
          HB3   LYS+ 111 - HN    MET   11  41.65 +/- 3.19   0.754% * 11.1564% (0.49   0.02   0.02) =   0.431%
    Distance limit 4.25 A violated in 20 structures by 13.67 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 = 12.1:
          HG2   MET   11 - HN    ALA   12   4.00 +/- 0.48  96.249% * 97.8432% (0.72   3.59  12.08) =  99.978%  kept
          HB2   GLU-  14 - HN    ALA   12   8.36 +/- 1.50   3.736% *  0.5437% (0.72   0.02   0.02) =   0.022%
          HB2   PRO   68 - HN    ALA   12  19.78 +/- 3.49   0.013% *  0.1515% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  31.40 +/- 3.37   0.001% *  0.5342% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  38.77 +/- 3.62   0.000% *  0.5342% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  33.78 +/- 2.27   0.000% *  0.2240% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  37.52 +/- 3.51   0.000% *  0.0954% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  36.28 +/- 2.39   0.000% *  0.0737% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.78 +/- 0.25  99.993% * 99.1918% (0.68  10.0   2.30  12.40) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  16.81 +/- 2.34   0.003% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  19.47 +/- 2.43   0.001% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  21.28 +/- 3.73   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.11 +/- 1.94   0.001% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  23.14 +/- 1.67   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.42 +/- 1.42   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.92 +/- 2.82   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.15 +/- 2.11   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  32.51 +/- 1.88   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.29 +/- 3.09   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  38.95 +/- 3.47   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  33.80 +/- 2.34   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 = 5.19:
          QB    ALA   12 - HN    SER   13   2.61 +/- 0.46  99.982% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.29 +/- 1.96   0.009% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  16.58 +/- 1.93   0.003% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  18.51 +/- 3.25   0.002% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.26 +/- 1.86   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  20.14 +/- 1.67   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.96 +/- 1.29   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  28.44 +/- 2.50   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  25.46 +/- 1.64   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  29.72 +/- 1.67   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  28.59 +/- 2.80   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  36.30 +/- 2.89   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  30.97 +/- 1.90   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 2.46, residual support = 6.65:
          QB    SER   13 - HN    GLU-  14   3.12 +/- 0.64  99.817% * 95.5647% (0.45   2.46   6.65) =  99.998%  kept
          HB3   SER   37 - HN    GLU-  14  11.57 +/- 1.85   0.114% *  1.0023% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  12.00 +/- 1.50   0.068% *  0.8242% (0.48   0.02   0.02) =   0.001%
          HB    THR  118 - HN    GLU-  14  26.42 +/- 0.92   0.000% *  1.1973% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  30.26 +/- 1.08   0.000% *  1.0023% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  27.35 +/- 1.37   0.000% *  0.4093% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.516, support = 3.68, residual support = 40.2:
          QG    GLU-  14 - HN    GLU-  14   3.66 +/- 0.86  65.256% * 72.2917% (0.53   4.02  47.32) =  84.637%  kept
          QG    GLU-  15 - HN    GLU-  14   4.54 +/- 1.07  33.911% * 25.2492% (0.42   1.77   1.25) =  15.362%  kept
          QB    MET   11 - HN    GLU-  14   8.29 +/- 0.60   0.791% *  0.0931% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  14.51 +/- 0.80   0.025% *  0.3928% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  16.41 +/- 1.85   0.012% *  0.3415% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  19.36 +/- 1.08   0.004% *  0.3415% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  25.02 +/- 1.27   0.001% *  0.4661% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  28.13 +/- 2.07   0.000% *  0.4217% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  26.63 +/- 1.27   0.001% *  0.1173% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  33.71 +/- 1.81   0.000% *  0.2852% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.88, residual support = 47.3:
      O   HB2   GLU-  14 - HN    GLU-  14   3.37 +/- 0.42  99.701% * 99.6047% (0.70  10.0   3.88  47.32) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.98 +/- 0.95   0.203% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  14.84 +/- 2.94   0.094% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  26.59 +/- 1.90   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  33.79 +/- 2.65   0.000% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  28.44 +/- 1.00   0.000% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.74 +/- 1.65   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  32.86 +/- 2.00   0.000% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 3.89, residual support = 47.3:
      O   HB3   GLU-  14 - HN    GLU-  14   3.30 +/- 0.21  99.820% * 99.6986% (0.62  10.0   3.89  47.32) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.87 +/- 0.72   0.172% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  16.61 +/- 1.23   0.007% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  23.40 +/- 0.64   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  32.82 +/- 1.78   0.000% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.5, residual support = 84.3:
          QG    GLN   17 - HN    GLN   17   3.32 +/- 0.75  98.527% * 98.8146% (1.00   5.50  84.31) =  99.995%  kept
          HB    VAL   70 - HN    GLN   17   7.97 +/- 0.88   1.386% *  0.3527% (0.98   0.02   0.02) =   0.005%
          HB2   MET   96 - HN    GLN   17  15.89 +/- 0.87   0.016% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  14.33 +/- 1.55   0.032% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  14.88 +/- 1.94   0.026% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.06 +/- 0.61   0.004% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.27 +/- 1.34   0.009% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.09, residual support = 82.3:
      O   HB2   GLN   17 - HN    GLN   17   3.41 +/- 0.44  73.333% * 91.6388% (0.92  10.0   5.17  84.31) =  97.626%  kept
          QB    GLU-  15 - HN    GLN   17   4.33 +/- 0.26  20.747% *  7.8601% (0.92   1.0   1.72   0.02) =   2.369%  kept
          HB3   PRO   68 - HN    GLN   17   9.41 +/- 2.35   4.339% *  0.0562% (0.57   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLN   17   7.24 +/- 0.52   1.050% *  0.0795% (0.80   1.0   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLN   17  10.33 +/- 1.90   0.362% *  0.0721% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLN   17  10.12 +/- 0.95   0.165% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.79 +/- 0.49   0.002% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.47 +/- 0.89   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  27.14 +/- 1.49   0.000% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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   2.93 +/- 0.37  91.228% * 99.6298% (0.98  10.0   5.17  84.31) =  99.993%  kept
          HB2   LEU   71 - HN    GLN   17   5.22 +/- 1.70   8.569% *  0.0777% (0.76   1.0   0.02   0.02) =   0.007%
          QB    LYS+  65 - HN    GLN   17   9.68 +/- 1.42   0.133% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17  10.66 +/- 0.76   0.054% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.39 +/- 0.98   0.009% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  16.08 +/- 1.43   0.005% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  18.23 +/- 1.49   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.63 +/- 0.87   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  23.94 +/- 0.98   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 1.97, residual support = 6.29:
          QB    GLU-  15 - HN    GLY   16   2.56 +/- 0.46  96.386% * 39.2816% (0.98   1.94   6.01) =  97.326%  kept
          HB2   GLN   17 - HN    GLY   16   5.73 +/- 0.52   1.768% * 58.5253% (0.98   2.89  16.51) =   2.660%  kept
          HB3   PRO   68 - HN    GLY   16   9.73 +/- 2.22   1.471% *  0.3239% (0.78   0.02   0.02) =   0.012%
          HG2   PRO   68 - HN    GLY   16  10.61 +/- 1.91   0.169% *  0.1969% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   8.38 +/- 0.67   0.134% *  0.2290% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  10.49 +/- 1.13   0.040% *  0.1663% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  11.33 +/- 1.53   0.024% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  14.73 +/- 2.21   0.006% *  0.0901% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.45 +/- 0.69   0.001% *  0.3826% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  22.21 +/- 1.00   0.000% *  0.2617% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  19.86 +/- 1.32   0.001% *  0.0708% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  28.11 +/- 1.60   0.000% *  0.4009% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.18 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   2.56 +/- 0.76  99.618% * 98.7513% (0.70   5.81  50.05) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18   7.49 +/- 1.01   0.368% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   18  14.39 +/- 0.90   0.007% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  17.42 +/- 1.18   0.002% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  18.48 +/- 0.37   0.002% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.15 +/- 1.50   0.004% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 76.8:
      O   HB    VAL   18 - HN    VAL   18   2.48 +/- 0.48  98.388% * 99.4605% (0.70  10.0   4.99  76.78) =  99.998%  kept
          HB2   LEU   67 - HN    VAL   18   6.49 +/- 1.40   1.096% *  0.1296% (0.91   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    VAL   18   6.69 +/- 0.30   0.453% *  0.0305% (0.21   1.0   0.02  23.20) =   0.000%
          HG2   PRO   68 - HN    VAL   18  10.38 +/- 1.77   0.060% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  17.12 +/- 1.53   0.002% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  19.47 +/- 1.49   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.23 +/- 1.04   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  22.70 +/- 1.57   0.000% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.334, support = 5.43, residual support = 49.6:
          HB3   GLN   17 - HN    VAL   18   3.70 +/- 0.37  92.146% * 82.1135% (0.33   5.47  50.05) =  99.133%  kept
          QB    LYS+  65 - HN    VAL   18   6.71 +/- 1.17   4.831% * 13.2315% (0.87   0.34   0.02) =   0.837%  kept
          HB2   LEU   71 - HN    VAL   18   7.77 +/- 1.29   2.111% *  0.7631% (0.84   0.02   0.02) =   0.021%
          QB    LYS+  66 - HN    VAL   18   8.62 +/- 0.75   0.763% *  0.7348% (0.81   0.02   0.02) =   0.007%
          HB    VAL   41 - HN    VAL   18  11.83 +/- 1.25   0.115% *  0.5691% (0.62   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   18  18.85 +/- 1.29   0.006% *  0.8490% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  17.71 +/- 1.16   0.009% *  0.4282% (0.47   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  20.62 +/- 1.20   0.004% *  0.8720% (0.96   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  17.19 +/- 2.02   0.014% *  0.2194% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  23.84 +/- 1.93   0.002% *  0.2194% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.29, residual support = 76.8:
          QG2   VAL   18 - HN    VAL   18   2.56 +/- 0.70  98.406% * 98.3058% (0.91   5.29  76.78) =  99.997%  kept
          QD1   ILE   19 - HN    VAL   18   6.42 +/- 0.40   1.088% *  0.2066% (0.51   0.02  23.20) =   0.002%
          QG1   VAL   41 - HN    VAL   18   9.40 +/- 1.16   0.114% *  0.3625% (0.89   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   18   7.67 +/- 0.44   0.314% *  0.0979% (0.24   0.02   0.35) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.36 +/- 0.90   0.048% *  0.3918% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  11.71 +/- 1.54   0.021% *  0.3406% (0.84   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  14.87 +/- 0.85   0.006% *  0.1474% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  15.86 +/- 1.41   0.004% *  0.1474% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.5, residual support = 7.28:
          QB    ALA   64 - HN    VAL   18   4.20 +/- 1.08  99.948% * 99.7924% (0.84   1.50   7.28) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  15.75 +/- 1.98   0.052% *  0.2076% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 2 structures by 0.42 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.431, support = 3.62, residual support = 19.0:
          HN    PHE   59 - HN    PHE   60   2.77 +/- 0.10  85.026% * 60.4468% (0.44   3.68  19.22) =  95.237%  kept
          QE    PHE   59 - HN    THR  118   4.35 +/- 0.62   7.963% * 16.5790% (0.16   2.79  11.14) =   2.446%  kept
          QE    PHE   59 - HN    PHE   60   5.27 +/- 1.29   6.426% * 19.4436% (0.28   1.85  19.22) =   2.315%  kept
          HN    HIS  122 - HN    THR  118   6.78 +/- 0.15   0.398% *  0.1571% (0.21   0.02   2.79) =   0.001%
          HN    PHE   59 - HN    THR  118   9.70 +/- 0.48   0.048% *  0.1855% (0.25   0.02  11.14) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.52 +/- 0.32   0.104% *  0.0608% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.86 +/- 0.57   0.014% *  0.2779% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  13.79 +/- 1.34   0.007% *  0.1302% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  19.97 +/- 1.21   0.001% *  0.5955% (0.80   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  19.40 +/- 1.68   0.001% *  0.4511% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  12.84 +/- 1.00   0.009% *  0.0344% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  18.47 +/- 0.90   0.001% *  0.2520% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  22.21 +/- 1.58   0.000% *  0.7035% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  22.83 +/- 3.15   0.000% *  0.5401% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  19.72 +/- 1.63   0.001% *  0.1424% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 4.74, residual support = 40.9:
          HN    ALA   61 - HN    PHE   60   2.83 +/- 0.15  99.934% * 94.4887% (0.47   4.74  40.86) = 100.000%  kept
          HN    THR   39 - HN    GLU-  15  12.04 +/- 1.53   0.024% *  0.1692% (0.20   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.38 +/- 0.58   0.015% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  14.17 +/- 0.93   0.007% *  0.3954% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.34 +/- 1.21   0.002% *  0.6532% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  18.53 +/- 1.72   0.002% *  0.8548% (1.00   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  16.81 +/- 1.48   0.003% *  0.2234% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.08 +/- 0.81   0.002% *  0.3460% (0.40   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  15.19 +/- 0.64   0.005% *  0.0699% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.51 +/- 0.72   0.001% *  0.3049% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  18.47 +/- 0.94   0.001% *  0.1955% (0.23   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  25.53 +/- 2.11   0.000% *  0.7414% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  29.64 +/- 1.33   0.000% *  0.8472% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  18.02 +/- 0.80   0.002% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.66 +/- 0.77   0.001% *  0.0789% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  24.57 +/- 1.33   0.000% *  0.1497% (0.18   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  25.13 +/- 0.86   0.000% *  0.1723% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.95 +/- 1.22   0.000% *  0.0446% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 72.3:
      O   HB3   PHE   60 - HN    PHE   60   2.88 +/- 0.38  99.656% * 98.9222% (0.47  10.0   4.94  72.28) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.49 +/- 1.50   0.141% *  0.0529% (0.25   1.0   0.02   3.02) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.59 +/- 1.24   0.117% *  0.0294% (0.14   1.0   0.02   1.71) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.27 +/- 0.94   0.044% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.62 +/- 1.52   0.014% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.16 +/- 0.97   0.014% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.99 +/- 1.27   0.003% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  20.05 +/- 1.63   0.001% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  17.08 +/- 1.41   0.003% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.88 +/- 0.73   0.003% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.40 +/- 1.03   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.02 +/- 1.36   0.001% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  22.35 +/- 0.92   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  25.37 +/- 1.14   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.96 +/- 1.44   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 19.2:
          HB3   PHE   59 - HN    PHE   60   3.81 +/- 0.41  97.402% * 96.9737% (0.39   4.01  19.22) =  99.992%  kept
          HB3   PHE   59 - HN    THR  118   7.38 +/- 0.65   2.561% *  0.2731% (0.22   0.02  11.14) =   0.007%
          HB3   TRP   49 - HN    PHE   60  15.22 +/- 0.84   0.031% *  0.4633% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  22.25 +/- 1.50   0.003% *  1.0355% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  22.36 +/- 1.12   0.003% *  0.2618% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  31.91 +/- 2.04   0.000% *  0.9927% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.28 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 = 2.82, residual support = 5.34:
        T HN    SER  117 - HN    THR  118   2.63 +/- 0.13  99.980% * 97.7507% (0.17 10.00   2.82   5.34) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.33 +/- 0.78   0.018% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  18.52 +/- 1.21   0.001% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  19.23 +/- 0.98   0.001% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  21.55 +/- 1.02   0.000% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  25.00 +/- 0.88   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 = 4.5, residual support = 37.0:
          QG2   THR  118 - HN    THR  118   3.60 +/- 0.11  97.185% * 84.0367% (0.13   4.52  37.19) =  99.453%  kept
          QG2   THR  118 - HN    PHE   60   6.87 +/- 0.94   2.815% * 15.9633% (0.23   0.47   0.02) =   0.547%  kept
    Distance limit 4.00 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 = 0.136, support = 4.26, residual support = 54.3:
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.05  15.801% * 79.4103% (0.22  10.0   4.94  72.28) =  49.910%  kept
      O   HB    THR  118 - HN    THR  118   2.20 +/- 0.17  65.155% * 18.8475% (0.05  10.0   3.60  37.19) =  48.845%  kept
          QB    SER  117 - HN    THR  118   2.77 +/- 0.23  19.009% *  1.6453% (0.03   1.0   3.15   5.34) =   1.244%  kept
          HB    THR  118 - HN    PHE   60   8.48 +/- 0.64   0.022% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118   9.79 +/- 0.89   0.009% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.64   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.63, residual support = 37.2:
      O   HA    THR  118 - HN    THR  118   2.82 +/- 0.04  88.170% * 74.8771% (0.14  10.0   3.62  37.19) =  99.147%  kept
          HA    ILE  119 - HN    THR  118   5.18 +/- 0.11   2.340% * 24.1449% (0.17   1.0   5.50  39.49) =   0.848%  kept
          HD3   PRO   58 - HN    PHE   60   4.26 +/- 0.48   9.232% *  0.0311% (0.06   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    PHE   60   8.36 +/- 0.52   0.141% *  0.1591% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  10.83 +/- 0.71   0.030% *  0.1356% (0.26   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  11.62 +/- 0.63   0.019% *  0.0666% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.85 +/- 1.37   0.015% *  0.0795% (0.15   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.85 +/- 0.80   0.018% *  0.0439% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  15.67 +/- 0.87   0.003% *  0.1482% (0.28   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.07 +/- 0.60   0.026% *  0.0172% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  15.29 +/- 0.75   0.004% *  0.1148% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.28 +/- 0.83   0.001% *  0.0634% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  18.31 +/- 0.67   0.001% *  0.0368% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.94 +/- 1.09   0.000% *  0.0818% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.01, residual support = 19.2:
      O   HA    PHE   59 - HN    PHE   60   3.56 +/- 0.06  82.294% * 99.4803% (0.99  10.0   4.01  19.22) =  99.995%  kept
          HA    ILE   56 - HN    PHE   60   5.27 +/- 0.95  14.142% *  0.0154% (0.15   1.0   0.02   2.16) =   0.003%
          HA    ASP- 113 - HN    THR  118   6.28 +/- 0.35   2.890% *  0.0487% (0.48   1.0   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    THR  118   8.80 +/- 0.61   0.390% *  0.0802% (0.80   1.0   0.02  11.14) =   0.000%
          HA    ILE   56 - HN    THR  118  10.09 +/- 1.04   0.202% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    PHE   60  13.24 +/- 0.99   0.034% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  18.56 +/- 0.85   0.004% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.32 +/- 1.14   0.010% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  19.38 +/- 0.99   0.003% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.52 +/- 0.87   0.004% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  20.31 +/- 1.57   0.003% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  16.69 +/- 1.39   0.009% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  15.96 +/- 1.42   0.012% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  24.07 +/- 0.74   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  24.16 +/- 1.26   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  27.63 +/- 1.45   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.15 +/- 1.44   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  25.45 +/- 1.55   0.001% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.52 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.921, support = 4.83, residual support = 68.3:
      O   HA    PHE   60 - HN    PHE   60   2.79 +/- 0.05  48.305% * 94.1651% (0.96  10.0   4.94  72.28) =  94.103%  kept
          QB    SER  117 - HN    THR  118   2.77 +/- 0.23  51.400% *  5.5458% (0.36   1.0   3.15   5.34) =   5.897%  kept
          HA    LYS+ 121 - HN    THR  118   6.87 +/- 0.35   0.218% *  0.0138% (0.14   1.0   0.02   8.48) =   0.000%
          HA    PHE   60 - HN    THR  118   9.79 +/- 0.89   0.031% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.67 +/- 0.64   0.009% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  10.15 +/- 0.61   0.023% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.24 +/- 0.78   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.13 +/- 0.67   0.005% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.41 +/- 0.58   0.003% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  18.89 +/- 1.40   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.85 +/- 1.00   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.26 +/- 1.20   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  22.38 +/- 1.47   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.29 +/- 1.26   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  31.62 +/- 2.07   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.491, support = 3.46, residual support = 19.2:
          HG12  ILE  119 - HN    THR  118   4.21 +/- 0.27  12.980% * 64.5172% (0.72   4.96  39.49) =  39.801%  kept
          QG    GLU-  14 - HN    GLU-  15   3.42 +/- 0.73  39.236% * 17.3865% (0.36   2.63   1.25) =  32.423%  kept
          QG    GLU-  15 - HN    GLU-  15   3.34 +/- 0.68  44.441% * 13.1372% (0.32   2.29  11.26) =  27.749%  kept
          HB2   ASP-  44 - HN    PHE   60   6.33 +/- 0.50   0.901% *  0.3230% (0.89   0.02   3.59) =   0.014%
          HG12  ILE  119 - HN    PHE   60   6.85 +/- 0.34   0.562% *  0.3230% (0.89   0.02   0.02) =   0.009%
          HB2   ASP- 105 - HN    THR  118   6.75 +/- 1.20   1.711% *  0.0393% (0.11   0.02   4.62) =   0.003%
          HB3   PHE   72 - HN    PHE   60  13.12 +/- 0.78   0.014% *  0.3476% (0.96   0.02   0.15) =   0.000%
          HB2   ASP-  44 - HN    THR  118  12.24 +/- 0.65   0.017% *  0.2603% (0.72   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  15  12.05 +/- 1.03   0.029% *  0.1382% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  12.85 +/- 1.21   0.020% *  0.1481% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  14.53 +/- 1.28   0.007% *  0.3570% (0.98   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.84 +/- 1.12   0.045% *  0.0489% (0.13   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  16.49 +/- 1.01   0.003% *  0.2801% (0.77   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  17.70 +/- 1.39   0.003% *  0.2877% (0.79   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.49 +/- 1.42   0.005% *  0.1193% (0.33   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.56 +/- 0.88   0.011% *  0.0487% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.66 +/- 1.23   0.004% *  0.1285% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  19.66 +/- 1.96   0.001% *  0.3325% (0.91   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  19.16 +/- 1.21   0.001% *  0.2884% (0.79   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.31 +/- 1.57   0.004% *  0.0754% (0.21   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  21.79 +/- 1.24   0.001% *  0.2324% (0.64   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.12 +/- 1.52   0.000% *  0.2679% (0.74   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  21.93 +/- 1.32   0.001% *  0.1285% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.40 +/- 0.93   0.000% *  0.1895% (0.52   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  26.29 +/- 1.89   0.000% *  0.1420% (0.39   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  27.10 +/- 2.75   0.000% *  0.1229% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  28.16 +/- 1.13   0.000% *  0.1527% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.74 +/- 1.30   0.000% *  0.0194% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  31.29 +/- 2.59   0.000% *  0.0990% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  31.12 +/- 1.91   0.000% *  0.0589% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.0802, support = 1.96, residual support = 10.9:
      O   QB    GLU-  15 - HN    GLU-  15   3.06 +/- 0.33  82.130% * 48.1469% (0.06  10.0   2.01  11.26) =  96.345%  kept
          QB    GLU- 114 - HN    THR  118   4.64 +/- 0.41   8.601% * 12.2850% (0.48   1.0   0.64   0.02) =   2.574%  kept
          HG3   PRO   58 - HN    PHE   60   6.23 +/- 0.29   1.325% * 31.8083% (0.89   1.0   0.90   0.02) =   1.027%  kept
          HB2   LEU  115 - HN    THR  118   5.51 +/- 0.24   2.779% *  0.5485% (0.69   1.0   0.02   0.02) =   0.037%
          HB2   LEU  115 - HN    PHE   60   7.90 +/- 1.15   0.415% *  0.6806% (0.86   1.0   0.02   0.02) =   0.007%
          HB2   GLN   17 - HN    GLU-  15   5.66 +/- 0.97   3.930% *  0.0481% (0.06   1.0   0.02   0.02) =   0.005%
          HG2   PRO   68 - HN    GLU-  15  13.15 +/- 2.43   0.312% *  0.2385% (0.30   1.0   0.02   0.02) =   0.002%
          QB    GLU- 114 - HN    PHE   60  10.27 +/- 0.92   0.075% *  0.4759% (0.60   1.0   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLU-  15   9.55 +/- 1.02   0.129% *  0.2143% (0.27   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    PHE   60  10.74 +/- 0.89   0.057% *  0.3819% (0.48   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60  11.34 +/- 1.24   0.052% *  0.1956% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    THR  118  12.90 +/- 1.03   0.017% *  0.5671% (0.72   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15  10.05 +/- 0.75   0.086% *  0.0778% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  14.37 +/- 2.06   0.012% *  0.4832% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  13.37 +/- 1.63   0.018% *  0.3078% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  14.51 +/- 1.01   0.008% *  0.5996% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLU-  15  12.03 +/- 1.28   0.031% *  0.1519% (0.19   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  16.15 +/- 0.79   0.005% *  0.5390% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  15.59 +/- 1.58   0.007% *  0.1211% (0.15   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.40 +/- 1.08   0.003% *  0.1577% (0.20   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  21.63 +/- 0.87   0.001% *  0.4344% (0.55   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  19.03 +/- 1.02   0.002% *  0.1211% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  24.36 +/- 1.96   0.000% *  0.2799% (0.35   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.81 +/- 1.14   0.001% *  0.0976% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  24.10 +/- 0.87   0.000% *  0.2182% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  21.07 +/- 1.39   0.001% *  0.0868% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.73 +/- 1.01   0.001% *  0.0976% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  26.46 +/- 1.52   0.000% *  0.2707% (0.34   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.02 +/- 1.02   0.000% *  0.1893% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.99 +/- 0.92   0.000% *  0.1758% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0921, support = 2.16, residual support = 2.16:
          QG1   ILE   56 - HN    PHE   60   4.10 +/- 0.79  86.921% * 44.9804% (0.09   2.17   2.16) =  99.721%  kept
          HG3   PRO   93 - HN    PHE   60   8.56 +/- 0.89   1.971% *  1.6019% (0.36   0.02   0.02) =   0.081%
          QG1   ILE   56 - HN    THR  118   7.17 +/- 0.82   6.313% *  0.2344% (0.05   0.02   0.02) =   0.038%
          HB3   MET   92 - HN    PHE   60  11.20 +/- 1.13   0.497% *  2.0960% (0.47   0.02   0.02) =   0.027%
          HD2   LYS+ 111 - HN    THR  118   9.71 +/- 0.96   0.890% *  1.1610% (0.26   0.02   0.02) =   0.026%
          HB2   LEU  123 - HN    THR  118   9.10 +/- 0.53   1.087% *  0.9484% (0.21   0.02   0.02) =   0.026%
          QD    LYS+ 106 - HN    THR  118   9.72 +/- 1.14   0.814% *  0.9893% (0.22   0.02   3.02) =   0.021%
          HB2   LEU   73 - HN    GLU-  15  12.86 +/- 1.40   0.145% *  4.3342% (0.97   0.02   0.02) =   0.016%
          HG3   PRO   93 - HN    THR  118  10.67 +/- 1.51   0.620% *  0.9052% (0.20   0.02   0.02) =   0.014%
          QD    LYS+ 106 - HN    PHE   60  13.31 +/- 1.60   0.127% *  1.7508% (0.39   0.02   0.02) =   0.006%
          QD    LYS+  99 - HN    GLU-  15  16.40 +/- 1.43   0.045% *  3.5962% (0.80   0.02   0.02) =   0.004%
          HB3   MET   92 - HN    THR  118  13.40 +/- 1.19   0.120% *  1.1845% (0.26   0.02   0.02) =   0.004%
          HB2   LEU  123 - HN    PHE   60  14.43 +/- 0.75   0.081% *  1.6784% (0.37   0.02   0.02) =   0.003%
          HB2   LEU   73 - HN    PHE   60  14.78 +/- 0.72   0.062% *  2.0228% (0.45   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - HN    PHE   60  14.85 +/- 1.25   0.060% *  2.0545% (0.46   0.02   0.02) =   0.003%
          QD    LYS+  99 - HN    THR  118  14.02 +/- 1.31   0.095% *  0.9484% (0.21   0.02   0.02) =   0.002%
          QD    LYS+  38 - HN    GLU-  15  15.60 +/- 1.67   0.052% *  0.9999% (0.22   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.61 +/- 1.16   0.024% *  1.6784% (0.37   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.84 +/- 1.96   0.011% *  3.5962% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HN    GLU-  15  23.10 +/- 1.81   0.004% *  3.7513% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  22.43 +/- 1.48   0.005% *  2.5427% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  17.53 +/- 1.39   0.020% *  0.6706% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  20.77 +/- 0.97   0.008% *  1.1431% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.92 +/- 1.44   0.007% *  1.1867% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  27.90 +/- 1.29   0.001% *  3.4322% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  29.31 +/- 1.50   0.001% *  4.4911% (1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  21.95 +/- 1.24   0.005% *  0.8888% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  32.95 +/- 1.57   0.001% *  4.4022% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  22.95 +/- 0.88   0.004% *  0.4667% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  21.33 +/- 1.22   0.007% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 2 structures by 0.30 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.66, residual support = 40.7:
          QB    ALA   61 - HN    PHE   60   4.41 +/- 0.16  66.327% * 72.6498% (0.25   2.67  40.86) =  99.510%  kept
          HD3   LYS+ 121 - HN    THR  118   5.88 +/- 1.44  20.879% *  0.5388% (0.24   0.02   8.48) =   0.232%
          HG12  ILE   19 - HN    GLU-  15   8.05 +/- 1.30   3.434% *  1.8487% (0.84   0.02   0.02) =   0.131%
          QB    ALA   12 - HN    GLU-  15   7.60 +/- 0.90   3.826% *  0.8307% (0.38   0.02   0.02) =   0.066%
          QB    ALA  110 - HN    PHE   60   9.56 +/- 1.72   1.171% *  0.7894% (0.36   0.02   0.02) =   0.019%
          QB    ALA  110 - HN    THR  118   9.49 +/- 1.31   1.101% *  0.4461% (0.20   0.02   0.02) =   0.010%
          QG    LYS+  66 - HN    PHE   60   8.97 +/- 1.02   1.312% *  0.2300% (0.10   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    GLU-  15  11.35 +/- 1.17   0.288% *  0.8307% (0.38   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    PHE   60  11.93 +/- 1.13   0.199% *  0.9264% (0.42   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  14.28 +/- 1.36   0.071% *  1.9849% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  11.46 +/- 0.82   0.248% *  0.3877% (0.18   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    GLU-  15  14.28 +/- 1.68   0.081% *  1.1645% (0.53   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    PHE   60  13.73 +/- 1.20   0.089% *  0.9535% (0.43   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    THR  118  10.95 +/- 1.55   0.407% *  0.1300% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.27 +/- 0.47   0.146% *  0.3071% (0.14   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    PHE   60  15.83 +/- 1.52   0.039% *  1.0238% (0.46   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  16.46 +/- 1.08   0.027% *  1.4318% (0.65   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.96 +/- 1.21   0.077% *  0.4928% (0.22   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    PHE   60  16.39 +/- 1.80   0.032% *  0.7501% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  15.61 +/- 0.66   0.035% *  0.6682% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.42 +/- 1.02   0.060% *  0.3776% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  13.74 +/- 1.34   0.084% *  0.2191% (0.10   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    PHE   60  17.16 +/- 1.26   0.021% *  0.8628% (0.39   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  20.68 +/- 1.47   0.007% *  1.6072% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.68 +/- 1.30   0.005% *  2.1937% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  22.95 +/- 2.63   0.005% *  2.0431% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.79 +/- 0.82   0.008% *  0.5235% (0.24   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  25.57 +/- 1.09   0.002% *  1.6915% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  22.02 +/- 1.44   0.005% *  0.5786% (0.26   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.25 +/- 1.77   0.004% *  0.4876% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  22.86 +/- 2.58   0.005% *  0.3877% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  22.76 +/- 1.95   0.004% *  0.4239% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.68 +/- 2.48   0.002% *  0.2191% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.75, residual support = 25.7:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  99.360% * 99.2769% (0.89  10.0   3.75  25.72) = 100.000%  kept
          QG2   THR   23 - HN    LEU   80   6.84 +/- 1.52   0.155% *  0.0983% (0.89   1.0   0.02   5.60) =   0.000%
          QG2   THR   39 - HN    ALA   34   6.62 +/- 1.10   0.224% *  0.0308% (0.28   1.0   0.02   3.80) =   0.000%
          QG2   THR   77 - HN    LEU   80   6.14 +/- 1.13   0.242% *  0.0221% (0.20   1.0   0.02   0.56) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.05 +/- 0.44   0.014% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.01 +/- 0.56   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.64 +/- 2.11   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.60 +/- 0.60   0.001% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.64 +/- 1.18   0.002% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.64 +/- 1.01   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.91 +/- 1.56   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  17.76 +/- 0.72   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.85 +/- 0.70   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.46 +/- 0.93   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 3.56, residual support = 25.8:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.02  95.485% * 82.6855% (0.56  10.0   3.55  25.72) =  99.264%  kept
          HA    LYS+  81 - HN    LEU   80   4.87 +/- 0.39   3.672% * 15.9373% (0.47   1.0   4.63  32.47) =   0.736%  kept
          HA    GLU-  36 - HN    ALA   34   6.87 +/- 0.06   0.411% *  0.0600% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.75 +/- 0.20   0.200% *  0.1116% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.82 +/- 2.20   0.211% *  0.0548% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.01 +/- 0.87   0.016% *  0.1000% (0.68   1.0   0.02   1.09) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.45 +/- 1.87   0.001% *  0.1282% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.18 +/- 0.71   0.001% *  0.0741% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.31 +/- 1.43   0.001% *  0.0950% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.26 +/- 0.59   0.001% *  0.0768% (0.52   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.34 +/- 1.85   0.000% *  0.1348% (0.92   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.39 +/- 2.64   0.001% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.30 +/- 0.85   0.000% *  0.1061% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.16 +/- 0.75   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  28.97 +/- 1.07   0.000% *  0.1432% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.75 +/- 1.39   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  29.95 +/- 1.14   0.000% *  0.1208% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.64 +/- 1.33   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.974, support = 6.9, residual support = 43.4:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  72.713% * 91.1281% (0.99  10.0   6.95  44.50) =  97.625%  kept
          HA    GLN   32 - HN    ALA   34   4.46 +/- 0.19  20.780% *  7.7385% (0.34   1.0   4.93   0.12) =   2.369%  kept
          HB2   SER   82 - HN    LEU   80   6.57 +/- 0.60   2.625% *  0.0779% (0.85   1.0   0.02   0.20) =   0.003%
          HA    GLU-  29 - HN    ALA   34   7.10 +/- 0.49   1.352% *  0.0911% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.76 +/- 0.46   1.854% *  0.0161% (0.17   1.0   0.02   1.29) =   0.000%
          HA    SER   48 - HN    LEU   80   9.89 +/- 1.74   0.300% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.33 +/- 0.80   0.150% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  10.72 +/- 0.70   0.115% *  0.0901% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  14.81 +/- 0.89   0.016% *  0.0807% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.61 +/- 0.62   0.041% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.35 +/- 0.89   0.013% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.27 +/- 2.40   0.022% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.05 +/- 1.42   0.004% *  0.0870% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.88 +/- 0.83   0.003% *  0.0816% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  19.77 +/- 0.55   0.003% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.76 +/- 0.82   0.004% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  23.76 +/- 1.70   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.14 +/- 0.75   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.72 +/- 1.08   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.93 +/- 1.02   0.001% *  0.0558% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.88 +/- 0.91   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.20 +/- 1.27   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.761, support = 5.7, residual support = 44.1:
          HG3   LYS+  33 - HN    ALA   34   3.37 +/- 0.41  92.124% * 83.5582% (0.76   5.74  44.50) =  99.149%  kept
          QB    ALA   84 - HN    LEU   80   5.61 +/- 0.56   6.443% * 10.2169% (0.54   0.99   0.02) =   0.848%  kept
          HB3   LEU   73 - HN    ALA   34   9.07 +/- 0.96   0.287% *  0.3417% (0.89   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   80  10.54 +/- 0.90   0.146% *  0.3061% (0.80   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.51 +/- 0.87   0.551% *  0.0667% (0.17   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.22 +/- 0.95   0.162% *  0.1855% (0.49   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   34  11.82 +/- 0.46   0.058% *  0.3183% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.04 +/- 2.17   0.038% *  0.3517% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  11.98 +/- 1.07   0.064% *  0.0851% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.39 +/- 1.74   0.018% *  0.2208% (0.58   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.07 +/- 2.06   0.020% *  0.1430% (0.37   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.22 +/- 0.75   0.009% *  0.2851% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.76 +/- 1.01   0.005% *  0.3802% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  16.67 +/- 0.68   0.007% *  0.2311% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  17.47 +/- 1.83   0.006% *  0.2851% (0.75   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  16.21 +/- 0.89   0.009% *  0.1661% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  19.05 +/- 1.46   0.004% *  0.3405% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.11 +/- 1.24   0.003% *  0.3183% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  18.66 +/- 1.16   0.004% *  0.2608% (0.68   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.50 +/- 0.45   0.008% *  0.0950% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  16.23 +/- 1.68   0.011% *  0.0598% (0.16   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.05 +/- 0.71   0.009% *  0.0598% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  20.25 +/- 2.13   0.003% *  0.1430% (0.37   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.75 +/- 0.98   0.005% *  0.0667% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  23.43 +/- 1.63   0.001% *  0.3150% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.01 +/- 2.25   0.001% *  0.3294% (0.86   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  23.52 +/- 0.64   0.001% *  0.2465% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  22.48 +/- 1.85   0.001% *  0.1281% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  25.66 +/- 1.10   0.001% *  0.1281% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  30.50 +/- 1.06   0.000% *  0.3677% (0.96   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.87, residual support = 43.9:
          QB    LYS+  33 - HN    ALA   34   2.98 +/- 0.23  93.816% * 48.2231% (0.72   5.93  44.50) =  97.086%  kept
          QB    LYS+  81 - HN    LEU   80   5.51 +/- 0.31   2.685% * 39.0238% (0.78   4.48  32.47) =   2.248%  kept
          HB3   GLN   30 - HN    ALA   34   5.57 +/- 0.79   3.266% *  9.4800% (0.69   1.23   1.28) =   0.664%  kept
          HB3   LYS+  38 - HN    ALA   34   9.18 +/- 0.26   0.118% *  0.1943% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.47 +/- 2.45   0.051% *  0.1607% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.51 +/- 0.83   0.023% *  0.1378% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.85 +/- 0.91   0.005% *  0.1799% (0.80   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.13 +/- 1.17   0.007% *  0.1178% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.46 +/- 1.01   0.004% *  0.2009% (0.89   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  15.98 +/- 0.88   0.005% *  0.1457% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.79 +/- 2.15   0.006% *  0.1056% (0.47   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.55 +/- 2.00   0.002% *  0.1936% (0.86   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.07 +/- 1.20   0.002% *  0.1359% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.54 +/- 1.25   0.003% *  0.1090% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.72 +/- 0.65   0.001% *  0.1943% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  19.31 +/- 2.18   0.002% *  0.1136% (0.51   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  19.90 +/- 1.04   0.001% *  0.1056% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  19.29 +/- 2.00   0.002% *  0.0684% (0.30   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.19 +/- 1.19   0.001% *  0.1217% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.87 +/- 1.69   0.000% *  0.1794% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.72 +/- 1.23   0.000% *  0.2162% (0.96   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.23 +/- 0.63   0.000% *  0.1740% (0.78   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  24.04 +/- 0.68   0.000% *  0.0977% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.19 +/- 0.87   0.000% *  0.1178% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.45 +/- 1.14   0.000% *  0.0764% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  30.51 +/- 1.16   0.000% *  0.1268% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 7.49, residual support = 84.0:
      O   HA    LEU   80 - HN    LEU   80   2.74 +/- 0.26  95.257% * 72.9721% (0.50  10.0   7.53  84.77) =  99.057%  kept
          HA    ASP-  78 - HN    LEU   80   5.75 +/- 0.96   2.593% * 22.0037% (0.94   1.0   3.18   3.43) =   0.813%  kept
          HA    THR   23 - HN    LEU   80   5.93 +/- 1.54   1.972% *  4.6072% (0.85   1.0   0.74   5.60) =   0.130%
          HB    THR   23 - HN    LEU   80   8.38 +/- 1.52   0.167% *  0.0521% (0.36   1.0   0.02   5.60) =   0.000%
          HA    THR   23 - HN    ALA   34  15.64 +/- 0.23   0.003% *  0.1028% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.06 +/- 0.56   0.004% *  0.0430% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.58 +/- 1.08   0.002% *  0.0603% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.63 +/- 0.71   0.000% *  0.1144% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  19.01 +/- 0.94   0.001% *  0.0201% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  21.77 +/- 0.92   0.000% *  0.0243% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.5, residual support = 48.8:
      O   HA    GLU-  79 - HN    LEU   80   3.42 +/- 0.29  95.953% * 98.8868% (0.76  10.0   5.50  48.78) =  99.998%  kept
          HB    THR   77 - HN    LEU   80   6.97 +/- 1.34   3.283% *  0.0381% (0.29   1.0   0.02   0.56) =   0.001%
          HA    THR   39 - HN    ALA   34   8.42 +/- 0.33   0.487% *  0.0886% (0.68   1.0   0.02   3.80) =   0.000%
          HA    SER   85 - HN    LEU   80  10.94 +/- 0.46   0.106% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  11.73 +/- 0.91   0.081% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  15.21 +/- 1.86   0.020% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.37 +/- 1.01   0.030% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  17.26 +/- 2.19   0.011% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.52 +/- 0.43   0.012% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.18 +/- 0.83   0.003% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  19.44 +/- 0.86   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  22.86 +/- 0.39   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  23.66 +/- 0.95   0.001% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.19 +/- 1.16   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.89 +/- 2.23   0.003% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.49 +/- 0.86   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  26.04 +/- 1.19   0.001% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.81 +/- 0.95   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.61 +/- 1.34   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  30.01 +/- 2.43   0.000% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.51, residual support = 47.9:
          HB3   GLU-  79 - HN    LEU   80   2.93 +/- 0.68  93.099% * 76.7926% (0.79   5.58  48.78) =  98.278%  kept
          QB    GLU-  36 - HN    ALA   34   5.15 +/- 0.21   5.988% * 20.8828% (0.70   1.71   0.02) =   1.719%  kept
          HB3   GLU-  29 - HN    ALA   34   8.10 +/- 0.73   0.446% *  0.2718% (0.78   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    ALA   34   9.67 +/- 0.97   0.147% *  0.2082% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 2.19   0.069% *  0.3041% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.67 +/- 0.28   0.225% *  0.0841% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.05 +/- 1.29   0.009% *  0.3287% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.57 +/- 1.14   0.011% *  0.2518% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.14 +/- 0.83   0.003% *  0.2275% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.31 +/- 0.77   0.002% *  0.2954% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.05 +/- 1.04   0.000% *  0.2514% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  25.39 +/- 0.61   0.000% *  0.1017% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 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   2.68 +/- 0.06  99.992% * 98.7794% (0.80 10.00   4.04  18.74) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  19.66 +/- 0.75   0.001% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.25 +/- 1.93   0.001% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.63 +/- 0.71   0.004% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.08 +/- 0.80   0.002% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.98 +/- 1.57   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.40 +/- 2.06   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.74 +/- 0.84   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.04, residual support = 32.5:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.37  98.582% * 98.3155% (0.89   5.04  32.47) =  99.998%  kept
          HE3   TRP   27 - HN    ALA   34   7.84 +/- 0.49   0.938% *  0.0973% (0.22   0.02   0.02) =   0.001%
          QD    PHE   60 - HN    LEU   80  11.12 +/- 1.52   0.149% *  0.3134% (0.72   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.84 +/- 0.91   0.300% *  0.0871% (0.20   0.02   4.84) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.45 +/- 0.75   0.012% *  0.3499% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.82 +/- 0.78   0.003% *  0.4360% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.17 +/- 0.77   0.006% *  0.1349% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  19.11 +/- 1.01   0.005% *  0.1208% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  19.35 +/- 2.08   0.005% *  0.0685% (0.16   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.67 +/- 0.95   0.001% *  0.0765% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.732, support = 1.46, residual support = 1.46:
          HA    GLN   30 - HN    ALA   34   4.43 +/- 0.47  64.358% * 36.7824% (0.80   1.48   1.28) =  76.390%  kept
          HB3   SER   37 - HN    ALA   34   5.34 +/- 0.44  23.434% * 19.7938% (0.45   1.42   1.29) =  14.968%  kept
          HB    THR   39 - HN    ALA   34   6.48 +/- 0.54   8.081% * 28.3091% (0.61   1.50   3.80) =   7.383%  kept
          HB3   SER   82 - HN    LEU   80   7.28 +/- 0.51   3.679% * 10.5658% (0.82   0.41   0.20) =   1.254%  kept
          HA    ILE   89 - HN    LEU   80  11.97 +/- 0.90   0.181% *  0.2499% (0.40   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.43 +/- 2.65   0.048% *  0.4835% (0.78   0.02   0.02) =   0.001%
          QB    SER   13 - HN    ALA   34  15.00 +/- 1.58   0.057% *  0.4026% (0.65   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  14.92 +/- 0.86   0.047% *  0.4463% (0.72   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.58 +/- 1.67   0.066% *  0.2092% (0.34   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  18.01 +/- 1.52   0.018% *  0.5745% (0.92   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  20.96 +/- 0.90   0.006% *  0.3381% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  21.32 +/- 0.45   0.005% *  0.2790% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  23.42 +/- 1.38   0.003% *  0.3606% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  21.75 +/- 0.86   0.005% *  0.2499% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  20.58 +/- 1.15   0.007% *  0.0860% (0.14   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.82 +/- 0.92   0.005% *  0.0960% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.67 +/- 1.49   0.001% *  0.5398% (0.87   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  25.87 +/- 0.79   0.002% *  0.2336% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.749, support = 1.69, residual support = 4.59:
          HA    LEU   31 - HN    ALA   34   3.22 +/- 0.24  81.325% * 86.3105% (0.76   1.73   4.72) =  96.831%  kept
          HA    THR   77 - HN    LEU   80   4.76 +/- 1.33  18.665% * 12.3069% (0.34   0.56   0.56) =   3.169%  kept
          HA    LEU   31 - HN    LEU   80  15.21 +/- 0.76   0.008% *  0.8930% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.06 +/- 0.93   0.002% *  0.4896% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.375, support = 2.9, residual support = 3.72:
          HA    ASP-  78 - HN    LEU   80   5.75 +/- 0.96  42.041% * 80.7323% (0.40   3.18   3.43) =  88.497%  kept
          HA    THR   23 - HN    LEU   80   5.93 +/- 1.54  46.992% *  8.3014% (0.18   0.74   5.60) =  10.171%  kept
          HA    VAL   41 - HN    ALA   34   7.55 +/- 0.53   5.660% *  8.3043% (0.17   0.75   9.22) =   1.226%  kept
          HA    PHE   45 - HN    LEU   80   7.98 +/- 1.12   5.163% *  0.7780% (0.61   0.02   0.02) =   0.105%
          HA    PHE   45 - HN    ALA   34  17.08 +/- 0.53   0.036% *  0.8686% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.64 +/- 0.23   0.058% *  0.2502% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  16.52 +/- 0.42   0.043% *  0.1983% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.63 +/- 0.71   0.007% *  0.5669% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.58 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.677, support = 3.77, residual support = 18.3:
          HB2   ASP-  76 - HN    LEU   80   4.17 +/- 1.12  59.096% * 26.6234% (0.75   2.87   2.85) =  53.371%  kept
          QE    LYS+  33 - HN    ALA   34   4.76 +/- 0.41  32.462% * 33.5142% (0.52   5.14  44.50) =  36.906%  kept
          HB2   ASP-  78 - HN    LEU   80   5.95 +/- 0.64   7.431% * 38.5661% (0.88   3.54   3.43) =   9.721%  kept
          HB2   ASN   28 - HN    ALA   34   9.45 +/- 0.34   0.478% *  0.1020% (0.41   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80  10.09 +/- 0.41   0.312% *  0.0301% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    LEU   80  12.66 +/- 0.91   0.096% *  0.0913% (0.37   0.02   1.09) =   0.000%
          HB2   ASN   69 - HN    ALA   34  14.59 +/- 1.16   0.034% *  0.1801% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  17.74 +/- 0.91   0.011% *  0.2072% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.89 +/- 1.41   0.018% *  0.1169% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  15.74 +/- 2.14   0.031% *  0.0618% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.09 +/- 1.56   0.010% *  0.0690% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.26 +/- 0.98   0.003% *  0.2431% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.15 +/- 0.98   0.018% *  0.0336% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  24.34 +/- 0.65   0.001% *  0.1613% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 5.39, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.69 +/- 0.68  98.115% * 94.5456% (0.44   5.39  48.78) =  99.994%  kept
          HG3   GLU-  36 - HN    ALA   34   6.90 +/- 0.70   1.822% *  0.2747% (0.34   0.02   0.02) =   0.005%
          HG3   GLU-  25 - HN    LEU   80  12.73 +/- 1.28   0.020% *  0.7070% (0.88   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.37 +/- 2.85   0.016% *  0.6256% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.00 +/- 0.49   0.007% *  0.7893% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.94 +/- 3.10   0.013% *  0.2460% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  17.98 +/- 1.22   0.002% *  0.3920% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.12 +/- 1.75   0.002% *  0.2965% (0.37   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  19.41 +/- 1.98   0.001% *  0.2707% (0.34   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.04 +/- 1.23   0.001% *  0.3311% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.55 +/- 1.80   0.000% *  0.6985% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.56 +/- 0.95   0.000% *  0.2460% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.10 +/- 0.90   0.000% *  0.3022% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.91 +/- 1.38   0.000% *  0.2747% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.771, support = 5.49, residual support = 47.5:
          HB3   GLU-  79 - HN    LEU   80   2.93 +/- 0.68  86.545% * 68.8299% (0.78   5.58  48.78) =  97.350%  kept
          QB    GLU-  36 - HN    ALA   34   5.15 +/- 0.21   5.242% * 21.7302% (0.80   1.71   0.02) =   1.862%  kept
          QB    GLN   32 - HN    ALA   34   4.93 +/- 0.11   6.099% *  7.8762% (0.17   2.83   0.12) =   0.785%  kept
          HB    VAL   24 - HN    LEU   80   6.57 +/- 1.20   1.414% *  0.0633% (0.20   0.02  11.06) =   0.001%
          HB3   GLU-  29 - HN    ALA   34   8.10 +/- 0.73   0.389% *  0.1545% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34  10.52 +/- 1.43   0.085% *  0.1545% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.67 +/- 0.97   0.130% *  0.0556% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.10 +/- 2.19   0.060% *  0.0878% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  15.05 +/- 1.29   0.008% *  0.1384% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.14 +/- 0.83   0.002% *  0.2754% (0.87   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.87 +/- 0.47   0.008% *  0.0707% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.57 +/- 1.14   0.010% *  0.0498% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.31 +/- 0.77   0.001% *  0.2277% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.13 +/- 0.84   0.005% *  0.0498% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.30 +/- 0.66   0.000% *  0.1384% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  25.05 +/- 1.04   0.000% *  0.0980% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.682, support = 0.236, residual support = 0.472:
          QG1   VAL   75 - HN    LEU   80   5.77 +/- 0.98  98.816% * 76.2839% (0.68   0.24   0.47) =  99.884%  kept
          QG1   VAL   75 - HN    ALA   34  12.83 +/- 1.01   0.955% *  7.2090% (0.76   0.02   0.02) =   0.091%
          QD1   LEU  115 - HN    LEU   80  17.17 +/- 2.01   0.170% *  7.7993% (0.82   0.02   0.02) =   0.018%
          QD1   LEU  115 - HN    ALA   34  21.59 +/- 1.21   0.059% *  8.7078% (0.92   0.02   0.02) =   0.007%
    Distance limit 4.52 A violated in 10 structures by 1.24 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 = 0.269, support = 7.1, residual support = 84.2:
          QD1   LEU   80 - HN    LEU   80   2.58 +/- 0.71  73.427% * 26.3956% (0.18   7.30  84.77) =  58.477%  kept
          QD2   LEU   80 - HN    LEU   80   3.49 +/- 0.73  23.851% * 56.5972% (0.40   6.91  84.77) =  40.729%  kept
          QG2   VAL   41 - HN    ALA   34   5.18 +/- 0.52   1.875% * 13.9120% (0.34   2.00   9.22) =   0.787%  kept
          QD1   LEU   73 - HN    ALA   34   6.81 +/- 1.01   0.439% *  0.3407% (0.83   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   80   8.13 +/- 1.03   0.126% *  0.3051% (0.75   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ALA   34   7.32 +/- 0.74   0.206% *  0.0807% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   80  13.58 +/- 1.43   0.009% *  0.3051% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.86 +/- 0.79   0.006% *  0.3658% (0.89   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.13 +/- 1.37   0.010% *  0.1829% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.12 +/- 1.18   0.014% *  0.1017% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.72 +/- 0.86   0.004% *  0.3407% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  14.93 +/- 1.39   0.004% *  0.3276% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.33 +/- 0.83   0.008% *  0.1246% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  12.82 +/- 0.97   0.011% *  0.0807% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  12.82 +/- 0.74   0.008% *  0.0723% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.19 +/- 1.49   0.001% *  0.1778% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.24 +/- 0.94   0.001% *  0.0911% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  21.64 +/- 1.35   0.000% *  0.1985% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.617, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  21.21 +/- 1.56  13.406% * 31.5414% (1.00   0.02   0.02) =  31.741%  kept
          HB3   LEU  104 - HN    ALA   34  16.83 +/- 1.02  49.031% *  7.0378% (0.22   0.02   0.02) =  25.904%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.24 +/- 1.79  17.696% * 14.1725% (0.45   0.02   0.02) =  18.827%  kept
          QD2   LEU  123 - HN    LEU   80  23.61 +/- 1.28   6.892% * 28.2508% (0.89   0.02   0.02) =  14.617%  kept
          HG3   LYS+ 121 - HN    LEU   80  24.29 +/- 1.04   5.775% * 12.6939% (0.40   0.02   0.02) =   5.503%  kept
          HB3   LEU  104 - HN    LEU   80  23.47 +/- 0.94   7.200% *  6.3036% (0.20   0.02   0.02) =   3.407%  kept
    Distance limit 4.34 A violated in 20 structures by 10.57 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.743, support = 5.87, residual support = 44.0:
          QB    LYS+  33 - HN    ALA   34   2.98 +/- 0.23  93.816% * 47.1664% (0.74   5.93  44.50) =  97.015%  kept
          QB    LYS+  81 - HN    LEU   80   5.51 +/- 0.31   2.685% * 45.5098% (0.94   4.48  32.47) =   2.679%  kept
          HB3   GLN   30 - HN    ALA   34   5.57 +/- 0.79   3.266% *  4.2599% (0.32   1.23   1.28) =   0.305%
          HB3   LYS+  38 - HN    ALA   34   9.18 +/- 0.26   0.118% *  0.1020% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.47 +/- 2.45   0.051% *  0.1994% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.51 +/- 0.83   0.023% *  0.0836% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  15.85 +/- 0.91   0.005% *  0.2034% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.13 +/- 1.17   0.007% *  0.1347% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  15.98 +/- 0.88   0.005% *  0.1924% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.46 +/- 1.01   0.004% *  0.1682% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.79 +/- 2.15   0.006% *  0.0566% (0.26   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  18.07 +/- 1.20   0.002% *  0.1459% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  17.54 +/- 1.25   0.003% *  0.1285% (0.60   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.55 +/- 2.00   0.002% *  0.1554% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  19.31 +/- 2.18   0.002% *  0.1699% (0.79   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.72 +/- 0.65   0.001% *  0.1678% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  19.90 +/- 1.04   0.001% *  0.1629% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  21.19 +/- 1.19   0.001% *  0.1764% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  24.87 +/- 1.69   0.000% *  0.1648% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  24.04 +/- 0.68   0.000% *  0.1554% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  19.29 +/- 2.00   0.002% *  0.0314% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  25.72 +/- 1.23   0.000% *  0.1285% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.23 +/- 0.63   0.000% *  0.1234% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  30.51 +/- 1.16   0.000% *  0.1405% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  26.19 +/- 0.87   0.000% *  0.0468% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.45 +/- 1.14   0.000% *  0.0259% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.75, residual support = 25.7:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  99.572% * 98.3406% (0.24  10.0   3.75  25.72) =  99.999%  kept
          QG2   THR   77 - HN    LEU   80   6.14 +/- 1.13   0.242% *  0.3086% (0.76   1.0   0.02   0.56) =   0.001%
          QG2   THR   23 - HN    LEU   80   6.84 +/- 1.52   0.155% *  0.2493% (0.61   1.0   0.02   5.60) =   0.000%
          HG2   LYS+  38 - HN    ALA   34   8.23 +/- 0.51   0.025% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.29 +/- 0.53   0.002% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.01 +/- 0.56   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.64 +/- 1.01   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.60 +/- 0.60   0.001% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.64 +/- 2.11   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  19.00 +/- 0.81   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  20.91 +/- 1.56   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  24.69 +/- 0.91   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.436, support = 6.26, residual support = 84.8:
      O   HB2   LEU   80 - HN    LEU   80   2.89 +/- 0.62  64.080% * 49.3040% (0.26  10.0   5.97  84.77) =  64.993%  kept
          HG    LEU   80 - HN    LEU   80   3.57 +/- 0.94  35.297% * 48.2112% (0.76   1.0   6.79  84.77) =  35.006%  kept
          HG12  ILE   19 - HN    ALA   34   8.47 +/- 1.39   0.244% *  0.1007% (0.54   1.0   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ALA   34   8.41 +/- 1.34   0.136% *  0.1225% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  10.39 +/- 1.54   0.076% *  0.1481% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   8.96 +/- 0.93   0.070% *  0.0274% (0.15   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  12.30 +/- 1.41   0.011% *  0.1677% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  13.95 +/- 1.93   0.013% *  0.1065% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.96 +/- 0.88   0.028% *  0.0500% (0.27   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.77 +/- 1.38   0.008% *  0.1463% (0.78   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.02 +/- 1.16   0.006% *  0.1174% (0.63   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.04 +/- 0.68   0.005% *  0.1218% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.78 +/- 1.77   0.002% *  0.1355% (0.72   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.79 +/- 0.92   0.002% *  0.1387% (0.74   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  18.56 +/- 1.28   0.001% *  0.1769% (0.94   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.74 +/- 1.91   0.006% *  0.0366% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.56 +/- 1.00   0.001% *  0.1415% (0.75   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  19.87 +/- 0.97   0.001% *  0.1711% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.29 +/- 0.62   0.006% *  0.0226% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  15.85 +/- 0.73   0.003% *  0.0408% (0.22   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  18.96 +/- 1.79   0.001% *  0.0442% (0.24   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  20.54 +/- 1.28   0.001% *  0.0605% (0.32   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  23.41 +/- 0.83   0.000% *  0.1120% (0.60   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  23.62 +/- 1.37   0.000% *  0.1288% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  19.84 +/- 2.00   0.001% *  0.0605% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.04 +/- 2.83   0.001% *  0.0257% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  24.22 +/- 1.17   0.000% *  0.0500% (0.27   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  24.27 +/- 1.70   0.000% *  0.0311% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.756, support = 0.763, residual support = 8.83:
          QG1   VAL   41 - HN    ALA   34   4.19 +/- 0.40  72.930% * 48.0521% (0.78   0.75   9.22) =  91.766%  kept
          HG    LEU   31 - HN    ALA   34   6.18 +/- 0.39   7.599% * 39.6179% (0.51   0.95   4.72) =   7.883%  kept
          QG2   THR   46 - HN    LEU   80   7.36 +/- 1.42   5.033% *  0.9421% (0.57   0.02   0.02) =   0.124%
          QD2   LEU   73 - HN    ALA   34   7.08 +/- 0.64   4.259% *  0.6251% (0.38   0.02   0.02) =   0.070%
          QD1   ILE   19 - HN    ALA   34   6.61 +/- 0.69   6.479% *  0.3571% (0.22   0.02   0.02) =   0.061%
          QG1   VAL   43 - HN    ALA   34   8.65 +/- 0.55   1.118% *  1.1855% (0.72   0.02   0.02) =   0.035%
          QD2   LEU   73 - HN    LEU   80   8.56 +/- 1.06   1.313% *  0.7560% (0.46   0.02   0.02) =   0.026%
          QG1   VAL   43 - HN    LEU   80   9.86 +/- 0.54   0.491% *  1.4338% (0.87   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    LEU   80  11.57 +/- 0.96   0.187% *  1.1279% (0.69   0.02   0.02) =   0.006%
          QG2   VAL   18 - HN    ALA   34  11.35 +/- 0.68   0.203% *  0.9326% (0.57   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    LEU   80  13.16 +/- 0.84   0.089% *  1.0048% (0.61   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   80  14.23 +/- 0.44   0.050% *  1.5498% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  13.14 +/- 0.62   0.080% *  0.4319% (0.26   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   34  12.86 +/- 1.30   0.100% *  0.2249% (0.14   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  15.42 +/- 1.87   0.039% *  0.3873% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ALA   34  16.95 +/- 1.07   0.018% *  0.7789% (0.47   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  19.99 +/- 1.07   0.007% *  0.2720% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  20.88 +/- 0.87   0.005% *  0.3202% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.91, residual support = 84.7:
          QD2   LEU   80 - HN    LEU   80   3.49 +/- 0.73  86.008% * 97.3189% (0.85   6.91  84.77) =  99.977%  kept
          QD1   LEU   73 - HN    ALA   34   6.81 +/- 1.01   3.452% *  0.2545% (0.77   0.02   0.02) =   0.010%
          QG1   VAL   83 - HN    LEU   80   5.57 +/- 0.62   9.218% *  0.0783% (0.24   0.02   0.02) =   0.009%
          QD1   LEU   73 - HN    LEU   80   8.13 +/- 1.03   0.901% *  0.3078% (0.93   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    ALA   34  12.13 +/- 1.37   0.092% *  0.2328% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  13.58 +/- 1.43   0.052% *  0.3078% (0.93   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.12 +/- 1.18   0.082% *  0.1783% (0.54   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  11.80 +/- 0.83   0.097% *  0.0647% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.72 +/- 0.86   0.022% *  0.2545% (0.77   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  14.93 +/- 1.39   0.029% *  0.1408% (0.42   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  13.86 +/- 0.79   0.034% *  0.1164% (0.35   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  18.19 +/- 1.49   0.007% *  0.2899% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  19.24 +/- 0.94   0.005% *  0.2157% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  21.64 +/- 1.35   0.002% *  0.2397% (0.72   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.236, residual support = 0.472:
          QG1   VAL   75 - HN    LEU   80   5.77 +/- 0.98  98.816% * 85.6141% (0.46   0.24   0.47) =  99.921%  kept
          QG1   VAL   75 - HN    ALA   34  12.83 +/- 1.01   0.955% *  5.9916% (0.38   0.02   0.02) =   0.068%
          QD1   LEU  115 - HN    LEU   80  17.17 +/- 2.01   0.170% *  4.5950% (0.29   0.02   0.02) =   0.009%
          QD1   LEU  115 - HN    ALA   34  21.59 +/- 1.21   0.059% *  3.7992% (0.24   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 12 structures by 1.43 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 = 3.54, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.02  95.425% * 89.0452% (0.63  10.0   3.55  25.72) =  99.586%  kept
          HA    LYS+  81 - HN    LEU   80   4.87 +/- 0.39   3.669% *  9.6130% (0.29   1.0   4.63  32.47) =   0.413%
          HA    ASN   28 - HN    ALA   34   7.75 +/- 0.20   0.200% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34   9.82 +/- 2.20   0.210% *  0.0674% (0.47   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.87 +/- 0.06   0.410% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.01 +/- 0.87   0.016% *  0.1272% (0.89   1.0   0.02   1.09) =   0.000%
          HA    THR   26 - HN    ALA   34   9.92 +/- 0.44   0.047% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  12.00 +/- 0.99   0.017% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.45 +/- 1.87   0.001% *  0.1123% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.18 +/- 0.71   0.001% *  0.1077% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  20.31 +/- 1.43   0.001% *  0.1242% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.39 +/- 2.64   0.001% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.30 +/- 0.85   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.34 +/- 1.85   0.000% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.26 +/- 0.59   0.001% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  23.75 +/- 1.39   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.64 +/- 1.33   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  28.97 +/- 1.07   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.16 +/- 0.75   0.000% *  0.0299% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  29.95 +/- 1.14   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.587, support = 1.68, residual support = 4.55:
          HA    LEU   31 - HN    ALA   34   3.22 +/- 0.24  81.325% * 82.4955% (0.60   1.73   4.72) =  95.768%  kept
          HA    THR   77 - HN    LEU   80   4.76 +/- 1.33  18.665% * 15.8840% (0.36   0.56   0.56) =   4.232%  kept
          HA    LEU   31 - HN    LEU   80  15.21 +/- 0.76   0.008% *  1.1525% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.06 +/- 0.93   0.002% *  0.4680% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.623, support = 3.96, residual support = 21.7:
          QE    LYS+  33 - HN    ALA   34   4.76 +/- 0.41  32.462% * 37.8763% (0.60   5.14  44.50) =  45.021%  kept
          HB2   ASP-  76 - HN    LEU   80   4.17 +/- 1.12  59.096% * 20.3112% (0.57   2.87   2.85) =  43.950%  kept
          HB2   ASP-  78 - HN    LEU   80   5.95 +/- 0.64   7.431% * 40.5184% (0.93   3.54   3.43) =  11.024%  kept
          HB2   ASN   28 - HN    ALA   34   9.45 +/- 0.34   0.478% *  0.1248% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80  10.09 +/- 0.41   0.312% *  0.0649% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  12.66 +/- 0.91   0.096% *  0.1510% (0.61   0.02   1.09) =   0.001%
          QE    LYS+  65 - HN    LEU   80  15.74 +/- 2.14   0.031% *  0.1136% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ALA   34  14.59 +/- 1.16   0.034% *  0.0939% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.89 +/- 1.41   0.018% *  0.1784% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  17.74 +/- 0.91   0.011% *  0.1171% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.09 +/- 1.56   0.010% *  0.0939% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.15 +/- 0.98   0.018% *  0.0537% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.26 +/- 0.98   0.003% *  0.1892% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  24.34 +/- 0.65   0.001% *  0.1136% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.39, residual support = 48.8:
          HB2   GLU-  79 - HN    LEU   80   2.69 +/- 0.68  98.115% * 95.3029% (0.46   5.39  48.78) =  99.996%  kept
          HG3   GLU-  36 - HN    ALA   34   6.90 +/- 0.70   1.822% *  0.2050% (0.27   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU   80  12.73 +/- 1.28   0.020% *  0.7126% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  15.37 +/- 2.85   0.016% *  0.6307% (0.82   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.00 +/- 0.49   0.007% *  0.5892% (0.77   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.94 +/- 3.10   0.013% *  0.2480% (0.32   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.12 +/- 1.75   0.002% *  0.2989% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  17.98 +/- 1.22   0.002% *  0.2926% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  19.41 +/- 1.98   0.001% *  0.2729% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.04 +/- 1.23   0.001% *  0.2471% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.56 +/- 0.95   0.000% *  0.2480% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.55 +/- 1.80   0.000% *  0.5214% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.10 +/- 0.90   0.000% *  0.2256% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.91 +/- 1.38   0.000% *  0.2050% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.771, support = 6.91, residual support = 43.6:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  72.713% * 92.3476% (0.78  10.0   6.95  44.50) =  98.070%  kept
          HA    GLN   32 - HN    ALA   34   4.46 +/- 0.19  20.780% *  6.3355% (0.22   1.0   4.93   0.12) =   1.923%  kept
          HB2   SER   82 - HN    LEU   80   6.57 +/- 0.60   2.625% *  0.1002% (0.85   1.0   0.02   0.20) =   0.004%
          HA    GLU-  29 - HN    ALA   34   7.10 +/- 0.49   1.352% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.76 +/- 0.46   1.854% *  0.0206% (0.17   1.0   0.02   1.29) =   0.001%
          HA    SER   48 - HN    LEU   80   9.89 +/- 1.74   0.300% *  0.0588% (0.50   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   34  10.33 +/- 0.80   0.150% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  10.72 +/- 0.70   0.115% *  0.0874% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  14.81 +/- 0.89   0.016% *  0.1057% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  12.61 +/- 0.62   0.041% *  0.0345% (0.29   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  15.35 +/- 0.89   0.013% *  0.1078% (0.91   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.27 +/- 2.40   0.022% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.05 +/- 1.42   0.004% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.88 +/- 0.83   0.003% *  0.1117% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  19.77 +/- 0.55   0.003% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.76 +/- 0.82   0.004% *  0.0311% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  23.76 +/- 1.70   0.001% *  0.0969% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.72 +/- 1.08   0.001% *  0.0801% (0.68   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  22.14 +/- 0.75   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.93 +/- 1.02   0.001% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.88 +/- 0.91   0.001% *  0.0249% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.20 +/- 1.27   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.335, support = 0.02, residual support = 0.736:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.32  78.424% *  3.3143% (0.17  1.00   0.02   1.28) =  56.781%  kept
          HN    GLU-  29 - HN    ALA   34   8.40 +/- 0.34  12.204% * 11.4785% (0.61  1.00   0.02   0.02) =  30.601%  kept
          HN    ASP-  86 - HN    LEU   80   9.52 +/- 0.30   5.928% *  3.7738% (0.20  1.00   0.02   0.02) =   4.887%  kept
          HN    VAL   18 - HN    ALA   34  13.18 +/- 0.68   0.899% * 13.7422% (0.72  1.00   0.02   0.02) =   2.699%  kept
          HN    GLU-  29 - HN    LEU   80  12.75 +/- 0.92   1.140% * 10.2810% (0.54  1.00   0.02   0.02) =   2.561%  kept
        T HN    ASP-  86 - HN    ALA   34  18.30 +/- 0.94   0.126% * 42.1332% (0.22 10.00   0.02   0.02) =   1.159%  kept
          HN    GLN   30 - HN    LEU   80  12.87 +/- 0.83   1.043% *  2.9685% (0.16  1.00   0.02   0.02) =   0.677%  kept
          HN    VAL   18 - HN    LEU   80  16.52 +/- 0.87   0.236% * 12.3085% (0.65  1.00   0.02   0.02) =   0.634%  kept
    Distance limit 3.70 A violated in 20 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.246, support = 0.02, residual support = 0.678:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.32  78.424% *  2.6057% (0.11  1.00   0.02   1.28) =  52.142%  kept
          HN    GLU-  29 - HN    ALA   34   8.40 +/- 0.34  12.204% * 10.1298% (0.41  1.00   0.02   0.02) =  31.543%  kept
          HN    ASP-  86 - HN    LEU   80   9.52 +/- 0.30   5.928% *  4.0782% (0.17  1.00   0.02   0.02) =   6.169%  kept
          HN    GLU-  29 - HN    LEU   80  12.75 +/- 0.92   1.140% * 12.2517% (0.50  1.00   0.02   0.02) =   3.565%  kept
          HN    VAL   18 - HN    ALA   34  13.18 +/- 0.68   0.899% * 15.4172% (0.63  1.00   0.02   0.02) =   3.537%  kept
          HN    VAL   18 - HN    LEU   80  16.52 +/- 0.87   0.236% * 18.6466% (0.76  1.00   0.02   0.02) =   1.122%  kept
        T HN    ASP-  86 - HN    ALA   34  18.30 +/- 0.94   0.126% * 33.7193% (0.14 10.00   0.02   0.02) =   1.083%  kept
          HN    GLN   30 - HN    LEU   80  12.87 +/- 0.83   1.043% *  3.1515% (0.13  1.00   0.02   0.02) =   0.839%  kept
    Distance limit 3.68 A violated in 20 structures by 2.23 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   2.68 +/- 0.06  99.992% * 98.3004% (0.54 10.00   4.04  18.74) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  19.66 +/- 0.75   0.001% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.63 +/- 0.71   0.004% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.25 +/- 1.93   0.001% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  17.08 +/- 0.80   0.002% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  21.98 +/- 1.57   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.40 +/- 2.06   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.74 +/- 0.84   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.04, residual support = 32.5:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.37  98.587% * 98.6204% (0.94   5.04  32.47) =  99.999%  kept
          QD    PHE   60 - HN    LEU   80  11.12 +/- 1.52   0.149% *  0.3544% (0.85   0.02   0.02) =   0.001%
          HE3   TRP   27 - HN    ALA   34   7.84 +/- 0.49   0.938% *  0.0504% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.84 +/- 0.91   0.300% *  0.0610% (0.15   0.02   4.84) =   0.000%
          QD    PHE   60 - HN    ALA   34  16.45 +/- 0.75   0.012% *  0.2931% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.82 +/- 0.78   0.003% *  0.3239% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.17 +/- 0.77   0.006% *  0.1343% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  19.11 +/- 1.01   0.005% *  0.1625% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.595, support = 1.52, residual support = 2.02:
          HG2   LYS+ 111 - HN    GLU- 114   4.88 +/- 1.15  59.162% * 60.5122% (0.73   1.20   2.33) =  77.148%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.37 +/- 0.29  37.551% * 28.1497% (0.15   2.62   0.96) =  22.779%  kept
          HB3   PRO   93 - HN    GLU- 114   9.22 +/- 1.19   2.616% *  1.0641% (0.76   0.02   0.02) =   0.060%
          HB2   LEU   63 - HN    GLU- 114  13.17 +/- 0.96   0.182% *  1.3648% (0.98   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HN    GLU- 114  14.38 +/- 0.93   0.101% *  1.3924% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    GLU- 114  12.12 +/- 0.88   0.266% *  0.3100% (0.22   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    GLU- 114  16.39 +/- 0.81   0.045% *  1.3437% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  16.97 +/- 0.87   0.036% *  1.1149% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.22 +/- 1.17   0.023% *  1.2487% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  23.69 +/- 1.64   0.005% *  1.2853% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  21.51 +/- 1.05   0.009% *  0.6242% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  27.13 +/- 1.24   0.002% *  1.1149% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  28.81 +/- 1.23   0.001% *  0.4750% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    650
      with multiple volume contributions     :    313
      eliminated by violation filter         :     44
 
    Peaks:
      selected                               :   1094
      without assignment                     :     64
      with assignment                        :   1030
      with unique assignment                 :    749
      with multiple assignment               :    281
      with reference assignment              :    129
      with identical reference assignment    :    110
      with compatible reference assignment   :     19
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    901
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  44       5.0
    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 = 0.616, support = 3.34, residual support = 46.6:
      O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.18  81.213% * 27.7351% (0.39  10.0 10.00   2.96  47.32) =  63.075%  kept
    * O T HG2   MET   11 - HA    MET   11   3.76 +/- 0.53  18.615% * 70.8328% (1.00  10.0 10.00   4.00  45.35) =  36.924%  kept
        T HB2   GLU-  14 - HA    MET   11  10.40 +/- 1.41   0.045% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.85 +/- 1.34   0.038% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.70 +/- 2.83   0.088% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  21.91 +/- 3.33   0.001% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.96 +/- 2.18   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.36 +/- 3.67   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  31.24 +/- 2.31   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  39.38 +/- 3.85   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  27.11 +/- 1.39   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.38 +/- 2.85   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  40.63 +/- 3.90   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  35.76 +/- 2.52   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.68 +/- 2.16   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  38.26 +/- 2.54   0.000% *  0.0096% (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 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.753, support = 3.59, residual support = 46.1:
    * O T HG3   MET   11 - HA    MET   11   3.17 +/- 0.69  36.466% * 72.0852% (1.00  10.0 10.00   4.00  45.35) =  60.749%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.24  63.469% * 26.7596% (0.37  10.0 10.00   2.96  47.32) =  39.250%  kept
        T HB3   GLU-  14 - HA    MET   11  10.56 +/- 0.97   0.031% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HA    GLU-  14  10.92 +/- 0.98   0.027% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.34 +/- 1.08   0.004% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.13 +/- 1.24   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.47 +/- 2.46   0.001% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.54 +/- 1.03   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.09 +/- 2.06   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.31 +/- 2.41   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.02 +/- 1.59   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.53 +/- 3.87   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  31.52 +/- 1.54   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  40.02 +/- 2.48   0.000% *  0.0200% (0.28   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 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.664, support = 3.58, residual support = 45.7:
    * O T HA    MET   11 - HG2   MET   11   3.76 +/- 0.53  17.699% * 80.1674% (1.00  10.0 10.00   4.00  45.35) =  59.691%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.18  75.149% * 12.3420% (0.15  10.0 10.00   2.96  47.32) =  39.019%  kept
          HA    ALA   12 - HG2   MET   11   4.99 +/- 1.02   5.076% *  6.0298% (0.53   1.0  1.00   2.86  12.08) =   1.288%  kept
        T HA    MET   11 - HB2   GLU-  14  10.40 +/- 1.41   0.042% *  0.3002% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.85 +/- 1.34   0.034% *  0.3296% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   GLU-  14   6.94 +/- 1.35   0.671% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   6.09 +/- 0.92   1.119% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   8.05 +/- 1.17   0.197% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  14.43 +/- 1.33   0.005% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.88 +/- 1.07   0.003% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.08 +/- 1.81   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  22.10 +/- 2.72   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.16 +/- 0.79   0.002% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.38 +/- 1.32   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.13 +/- 2.59   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.17 +/- 1.74   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.75 +/- 1.86   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.60 +/- 1.64   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  32.01 +/- 2.22   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  30.94 +/- 3.56   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.05 +/- 1.61   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.27 +/- 2.68   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.09 +/- 1.59   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  31.24 +/- 2.31   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.56 +/- 1.55   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.85 +/- 2.90   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  39.38 +/- 3.85   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  24.66 +/- 2.38   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.27 +/- 0.89   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.24 +/- 2.75   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  32.69 +/- 3.84   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.57 +/- 1.38   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  32.72 +/- 2.91   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  40.54 +/- 4.42   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  31.39 +/- 0.79   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  36.43 +/- 3.29   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.881, support = 3.31, residual support = 45.6:
    * O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.11  53.832% * 80.4450% (1.00  10.0 10.00   3.31  45.35) =  84.869%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.31 +/- 0.14  45.257% * 17.0553% (0.21  10.0 10.00   3.27  47.32) =  15.127%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.28 +/- 0.77   0.861% *  0.2188% (0.27   1.0 10.00   0.02   1.25) =   0.004%
        T QB    MET   11 - HB2   GLU-  14   9.34 +/- 1.73   0.022% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.12 +/- 1.62   0.013% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.56 +/- 1.40   0.002% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  13.61 +/- 2.70   0.003% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  19.66 +/- 4.01   0.000% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  13.59 +/- 1.59   0.002% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.32 +/- 1.60   0.005% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.19 +/- 0.97   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.12 +/- 2.11   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.83 +/- 1.84   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  14.52 +/- 1.38   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  16.14 +/- 1.01   0.000% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.07 +/- 2.05   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.09 +/- 2.68   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  28.20 +/- 1.54   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  27.74 +/- 2.53   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.84 +/- 1.87   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  34.89 +/- 3.50   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.09 +/- 1.80   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  28.84 +/- 3.33   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.82 +/- 2.23   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.29 +/- 1.83   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  23.24 +/- 1.05   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  27.74 +/- 2.12   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.61 +/- 3.59   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.36 +/- 3.57   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  35.22 +/- 3.32   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  31.91 +/- 2.59   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  37.06 +/- 1.30   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  40.42 +/- 3.15   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 = 45.9:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 72.5786% (1.00  10.0 10.00   4.00  45.35) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 25.7103% (0.35  10.0 10.00   3.00  47.32) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.93 +/- 1.69   0.001% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.81 +/- 1.75   0.002% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.85 +/- 1.53   0.003% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  31.26 +/- 4.55   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.49 +/- 1.50   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  11.81 +/- 1.48   0.001% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  23.83 +/- 2.78   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.68 +/- 1.33   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.37 +/- 1.69   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  22.19 +/- 2.79   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  24.76 +/- 2.37   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  31.32 +/- 2.51   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  20.43 +/- 0.81   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  31.47 +/- 2.12   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  27.45 +/- 1.06   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  39.19 +/- 4.33   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  31.47 +/- 2.12   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  40.10 +/- 3.21   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  28.30 +/- 0.85   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.83, support = 3.79, residual support = 45.4:
    * O T HA    MET   11 - HG3   MET   11   3.17 +/- 0.69  35.045% * 80.7426% (1.00  10.0 10.00   4.00  45.35) =  79.621%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.77 +/- 0.24  58.165% * 11.7849% (0.15  10.0 10.00   2.96  47.32) =  19.288%  kept
          HA    ALA   12 - HG3   MET   11   4.78 +/- 0.99   6.263% *  6.1878% (0.53   1.0  1.00   2.91  12.08) =   1.090%  kept
        T HA    MET   11 - HB3   GLU-  14  10.56 +/- 0.97   0.028% *  0.2867% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.92 +/- 0.98   0.024% *  0.3319% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.10 +/- 1.17   0.469% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.49 +/- 1.77   0.005% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.03 +/- 1.39   0.000% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.13 +/- 2.42   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.41 +/- 1.31   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  29.15 +/- 2.49   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  23.00 +/- 1.37   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.65 +/- 1.40   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  30.84 +/- 3.47   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  32.01 +/- 2.04   0.000% *  0.0745% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  34.24 +/- 2.64   0.000% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.99 +/- 1.30   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  38.75 +/- 2.82   0.000% *  0.0791% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.49 +/- 1.38   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  24.56 +/- 2.08   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  37.10 +/- 2.75   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  32.76 +/- 3.75   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  32.56 +/- 2.56   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  40.60 +/- 4.31   0.000% *  0.0303% (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 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.847, support = 3.3, residual support = 45.7:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.10  45.608% * 81.3901% (1.00  10.0 10.00   3.31  45.35) =  80.906%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.44 +/- 0.13  53.537% * 16.3595% (0.20  10.0 10.00   3.27  47.32) =  19.090%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.37 +/- 0.78   0.807% *  0.2098% (0.26   1.0 10.00   0.02   1.25) =   0.004%
        T QG    GLU-  14 - HG3   MET   11  10.19 +/- 1.23   0.015% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.43 +/- 1.08   0.021% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.53 +/- 0.92   0.003% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  13.70 +/- 2.98   0.005% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  19.53 +/- 3.73   0.000% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  13.58 +/- 1.19   0.002% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  18.06 +/- 1.54   0.000% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  22.79 +/- 1.74   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  27.12 +/- 2.55   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.67 +/- 1.48   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  28.75 +/- 3.24   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.73 +/- 1.93   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  24.25 +/- 1.54   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  34.55 +/- 3.25   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  27.70 +/- 1.91   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  35.31 +/- 3.21   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.46 +/- 3.41   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  31.81 +/- 2.24   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  40.46 +/- 3.18   0.000% *  0.0305% (0.38   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 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 45.9:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 71.8618% (1.00  10.0 10.00   4.00  45.35) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 25.4564% (0.35  10.0 10.00   3.00  47.32) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.81 +/- 1.75   0.002% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.93 +/- 1.69   0.001% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  15.02 +/- 2.84   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  33.21 +/- 4.13   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  22.27 +/- 3.72   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  40.59 +/- 4.58   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.39 +/- 2.17   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  31.32 +/- 2.51   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  39.19 +/- 4.33   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  32.18 +/- 3.05   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  27.18 +/- 1.38   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  35.89 +/- 3.11   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.66 +/- 2.20   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.60 +/- 2.85   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 = 0.897, support = 3.38, residual support = 45.6:
    * O T HA    MET   11 - QB    MET   11   2.34 +/- 0.16  47.840% * 85.1002% (1.00  10.0 10.00   3.37  45.35) =  88.099%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.41 +/- 0.49  48.421% * 11.3536% (0.13  10.0 10.00   3.46  47.32) =  11.897%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.65 +/- 0.70   1.239% *  0.0843% (0.10   1.0 10.00   0.02   1.25) =   0.002%
          HA    ALA   12 - QB    MET   11   4.08 +/- 0.19   2.287% *  0.0448% (0.53   1.0  1.00   0.02  12.08) =   0.002%
        T HA    GLU-  14 - QB    MET   11   9.24 +/- 1.04   0.020% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.95 +/- 0.80   0.010% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.92 +/- 0.69   0.094% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.83 +/- 1.09   0.004% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   8.45 +/- 1.47   0.039% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.10 +/- 1.33   0.025% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.91 +/- 1.43   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  16.69 +/- 1.16   0.000% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.05 +/- 1.28   0.011% *  0.0052% (0.06   1.0  1.00   0.02   0.10) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.20 +/- 1.35   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.81 +/- 1.94   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  16.65 +/- 3.78   0.003% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  27.56 +/- 2.83   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  14.19 +/- 2.50   0.002% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.27 +/- 2.26   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.57 +/- 1.56   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  18.42 +/- 4.10   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.10 +/- 1.18   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.57 +/- 1.62   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.71 +/- 1.01   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.92 +/- 1.52   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  25.91 +/- 1.11   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.21 +/- 1.76   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.07 +/- 1.34   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.88 +/- 1.38   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  30.47 +/- 1.97   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.84 +/- 0.97   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.90 +/- 1.58   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.13 +/- 1.38   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.61 +/- 1.62   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.40 +/- 1.53   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  21.78 +/- 1.92   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.49 +/- 2.28   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  21.74 +/- 1.30   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.99 +/- 2.20   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  29.13 +/- 3.06   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.49 +/- 1.66   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  27.87 +/- 1.30   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.66 +/- 1.29   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  28.91 +/- 2.39   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  36.18 +/- 3.43   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  29.48 +/- 1.43   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.61 +/- 1.09   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  37.12 +/- 1.26   0.000% *  0.0040% (0.05   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 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.856, support = 3.3, residual support = 45.8:
    * O T HG2   MET   11 - QB    MET   11   2.24 +/- 0.11  53.742% * 73.8446% (1.00  10.0 10.00   3.31  45.35) =  78.642%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.31 +/- 0.14  45.067% * 23.9110% (0.32  10.0 10.00   3.27  47.32) =  21.354%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.28 +/- 0.77   0.860% *  0.1776% (0.24   1.0 10.00   0.02   1.25) =   0.003%
        T HB2   GLU-  14 - QB    MET   11   9.34 +/- 1.73   0.022% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.12 +/- 1.62   0.013% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15  10.36 +/- 2.57   0.275% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.56 +/- 1.40   0.002% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  13.61 +/- 2.70   0.003% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  13.34 +/- 2.63   0.013% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  19.66 +/- 4.01   0.000% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  19.44 +/- 3.27   0.000% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.48 +/- 2.40   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  29.49 +/- 3.44   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  22.29 +/- 1.43   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  27.74 +/- 2.53   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  34.89 +/- 3.50   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.55 +/- 1.31   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  28.20 +/- 1.54   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.40 +/- 1.89   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  28.61 +/- 2.87   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  24.21 +/- 1.64   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.37 +/- 2.24   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  23.12 +/- 1.13   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  36.14 +/- 3.56   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  28.59 +/- 2.24   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  31.85 +/- 2.49   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  24.56 +/- 1.72   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.54 +/- 1.91   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  34.22 +/- 2.43   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  37.06 +/- 1.30   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  29.33 +/- 1.12   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  28.77 +/- 1.32   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 = 0.816, support = 3.3, residual support = 45.9:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.10  45.592% * 75.1074% (1.00  10.0 10.00   3.31  45.35) =  73.507%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.44 +/- 0.13  53.520% * 23.0568% (0.31  10.0 10.00   3.27  47.32) =  26.489%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.37 +/- 0.78   0.807% *  0.1713% (0.23   1.0 10.00   0.02   1.25) =   0.003%
        T HB3   GLU-  14 - QB    MET   11   9.43 +/- 1.08   0.021% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14  10.19 +/- 1.23   0.015% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.53 +/- 0.92   0.003% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  13.70 +/- 2.98   0.005% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.76 +/- 1.26   0.009% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  19.53 +/- 3.73   0.000% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.26 +/- 1.62   0.010% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.24 +/- 1.76   0.007% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.35 +/- 1.00   0.006% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.10 +/- 1.17   0.001% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.09 +/- 1.21   0.002% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.01 +/- 1.44   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.48 +/- 2.18   0.000% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.07 +/- 1.39   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.70 +/- 2.02   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.97 +/- 2.58   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.86 +/- 3.59   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.93 +/- 1.93   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  27.15 +/- 1.45   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.83 +/- 1.54   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.16 +/- 1.71   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.60 +/- 0.94   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  35.68 +/- 2.41   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  30.70 +/- 1.65   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.79 +/- 1.10   0.000% *  0.0026% (0.03   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 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.998% * 99.1918% (0.82  10.0 10.00   2.00  12.40) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.02 +/- 2.31   0.001% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  18.31 +/- 2.44   0.000% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  20.10 +/- 3.59   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  19.88 +/- 2.12   0.000% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  22.07 +/- 1.81   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.62 +/- 1.46   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.17 +/- 2.78   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.03 +/- 2.19   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.58 +/- 1.90   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.41 +/- 3.09   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  37.98 +/- 3.29   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  32.71 +/- 2.30   0.000% *  0.0142% (0.12   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 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.956% * 99.5569% (0.82  10.0 10.00   2.00  12.40) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.86 +/- 0.23   2.863% *  0.0286% (0.24   1.0  1.00   0.02  12.08) =   0.001%
          HA    GLU-  14 - QB    ALA   12   6.30 +/- 0.66   0.181% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  25.42 +/- 2.22   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.35 +/- 1.99   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.03 +/- 1.94   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  25.91 +/- 1.79   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  28.15 +/- 1.86   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.47 +/- 1.81   0.000% *  0.0201% (0.17   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 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 = 0.933, support = 2.02, residual support = 10.3:
    * O T QB    SER   13 - HA    SER   13   2.45 +/- 0.14  75.529% * 64.9056% (1.00  10.0 10.00   1.93   7.60) =  86.360%  kept
      O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.15  23.598% * 32.8086% (0.51  10.0 10.00   2.57  27.54) =  13.639%  kept
          HB    THR   39 - HA    SER   37   5.48 +/- 0.52   0.760% *  0.0346% (0.53   1.0  1.00   0.02   2.74) =   0.000%
        T QB    SER   13 - HA    SER   37  13.16 +/- 2.62   0.018% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.19 +/- 2.15   0.005% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.92 +/- 1.35   0.026% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.00 +/- 1.08   0.039% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.83 +/- 1.64   0.003% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  12.42 +/- 0.82   0.005% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.80 +/- 0.57   0.011% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.68 +/- 0.91   0.001% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.82 +/- 0.68   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.23 +/- 1.56   0.002% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.84 +/- 1.45   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.73 +/- 1.04   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  20.01 +/- 0.87   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.34 +/- 1.55   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.16 +/- 1.55   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.77 +/- 1.03   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.30 +/- 1.31   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.55 +/- 0.61   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.29 +/- 1.16   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  35.66 +/- 2.51   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  35.40 +/- 1.38   0.000% *  0.0118% (0.18   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 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.933, support = 2.02, residual support = 10.4:
    * O T HA    SER   13 - QB    SER   13   2.45 +/- 0.14  75.522% * 63.8850% (1.00  10.0 10.00   1.93   7.60) =  85.812%  kept
      O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.15  23.596% * 33.8056% (0.53  10.0 10.00   2.57  27.54) =  14.188%  kept
          HA    GLU-  15 - QB    SER   13   6.97 +/- 0.75   0.192% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37   8.43 +/- 1.55   0.111% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.16 +/- 2.62   0.018% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   5.86 +/- 0.30   0.438% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   7.98 +/- 0.49   0.072% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.19 +/- 2.15   0.005% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.62 +/- 0.69   0.012% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  11.87 +/- 1.39   0.008% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.78 +/- 0.84   0.023% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.12 +/- 1.53   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.82 +/- 0.68   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.84 +/- 1.45   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  17.39 +/- 2.02   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.92 +/- 1.65   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.72 +/- 2.11   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.58 +/- 1.01   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.55 +/- 1.91   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.18 +/- 1.77   0.000% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  27.20 +/- 1.48   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  27.42 +/- 1.14   0.000% *  0.0149% (0.23   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 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 = 0.95, support = 3.04, residual support = 47.2:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.18  81.210% * 70.8449% (1.00  10.0 10.00   2.96  47.32) =  91.763%  kept
      O T HG2   MET   11 - HA    MET   11   3.76 +/- 0.53  18.615% * 27.7398% (0.39  10.0 10.00   4.00  45.35) =   8.236%  kept
        T HG2   MET   11 - HA    GLU-  14  10.85 +/- 1.34   0.038% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.40 +/- 1.41   0.045% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  13.70 +/- 2.83   0.088% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.66 +/- 1.22   0.003% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.96 +/- 2.18   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  31.24 +/- 2.31   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  21.91 +/- 3.33   0.001% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.18 +/- 2.74   0.001% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  32.38 +/- 2.85   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  27.11 +/- 1.39   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  33.36 +/- 3.67   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  39.38 +/- 3.85   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  40.63 +/- 3.90   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  35.76 +/- 2.52   0.000% *  0.0104% (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 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.86, support = 3.43, residual support = 46.0:
    * O T QG    GLU-  14 - HA    GLU-  14   2.41 +/- 0.49  49.265% * 45.0668% (1.00  10.0 10.00   3.46  47.32) =  80.134%  kept
      O T QB    MET   11 - HA    MET   11   2.34 +/- 0.16  49.418% * 10.0127% (0.22  10.0 10.00   3.37  45.35) =  17.859%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.65 +/- 0.70   1.279% * 43.4925% (0.97   1.0 10.00   2.72   1.25) =   2.007%  kept
        T QB    MET   11 - HA    GLU-  14   9.24 +/- 1.04   0.021% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.95 +/- 0.80   0.011% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.83 +/- 1.09   0.004% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  18.03 +/- 1.33   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  13.64 +/- 1.00   0.002% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.60 +/- 1.80   0.001% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.97 +/- 2.15   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.62 +/- 1.43   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  22.36 +/- 1.52   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.25 +/- 2.08   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  21.83 +/- 3.21   0.000% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.33 +/- 2.88   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.40 +/- 2.85   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  32.38 +/- 2.13   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  40.81 +/- 2.82   0.000% *  0.0039% (0.09   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 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.967, support = 2.98, residual support = 47.1:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.18  76.167% * 81.8153% (1.00  10.0 10.00   2.96  47.32) =  96.174%  kept
      O T HA    MET   11 - HG2   MET   11   3.76 +/- 0.53  17.919% * 12.5957% (0.15  10.0 10.00   4.00  45.35) =   3.483%  kept
          HA    ALA   12 - HG2   MET   11   4.99 +/- 1.02   5.152% *  4.2933% (0.37   1.0  1.00   2.86  12.08) =   0.341%
          HA    ALA   12 - HB2   GLU-  14   6.94 +/- 1.35   0.677% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.40 +/- 1.41   0.042% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.85 +/- 1.34   0.035% *  0.3064% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.08 +/- 1.81   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  14.88 +/- 1.07   0.004% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  16.16 +/- 0.79   0.002% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.91 +/- 1.30   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.56 +/- 1.55   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  31.24 +/- 2.31   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.38 +/- 1.32   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.75 +/- 1.86   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  25.57 +/- 1.38   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.05 +/- 1.61   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.09 +/- 1.59   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  29.13 +/- 2.59   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  27.14 +/- 0.98   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.51 +/- 1.78   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  34.20 +/- 2.41   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  39.38 +/- 3.85   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  37.24 +/- 2.75   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.52 +/- 1.44   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.27 +/- 0.89   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  32.01 +/- 2.22   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.27 +/- 2.68   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  36.43 +/- 3.29   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  38.85 +/- 2.90   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  37.46 +/- 2.62   0.000% *  0.0041% (0.05   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 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 = 0.841, support = 3.27, residual support = 46.9:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.31 +/- 0.14  45.258% * 80.2785% (1.00  10.0 10.00   3.27  47.32) =  79.849%  kept
      O T QB    MET   11 - HG2   MET   11   2.24 +/- 0.11  53.832% * 17.0200% (0.21  10.0 10.00   3.31  45.35) =  20.136%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.28 +/- 0.77   0.861% *  0.7747% (0.97   1.0 10.00   0.02   1.25) =   0.015%
        T QB    MET   11 - HB2   GLU-  14   9.34 +/- 1.73   0.022% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.12 +/- 1.62   0.013% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.56 +/- 1.40   0.002% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  13.59 +/- 1.59   0.002% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.19 +/- 0.97   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.33 +/- 2.30   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.12 +/- 2.11   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  10.98 +/- 2.06   0.007% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.07 +/- 2.05   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  16.14 +/- 1.01   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  27.74 +/- 2.53   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.29 +/- 1.83   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  22.83 +/- 1.84   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  28.20 +/- 1.54   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.82 +/- 2.23   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  22.60 +/- 3.54   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  27.09 +/- 2.68   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  23.24 +/- 1.05   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  34.89 +/- 3.50   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.36 +/- 3.57   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  34.61 +/- 3.59   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  32.33 +/- 2.80   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  31.41 +/- 1.30   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  40.82 +/- 3.44   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 = 0.899, support = 3.45, residual support = 47.1:
    * O T HA    GLU-  14 - QG    GLU-  14   2.41 +/- 0.49  48.446% * 85.4905% (1.00  10.0 10.00   3.46  47.32) =  88.333%  kept
      O T HA    MET   11 - QB    MET   11   2.34 +/- 0.16  47.871% * 11.4057% (0.13  10.0 10.00   3.37  45.35) =  11.645%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.65 +/- 0.70   1.240% *  0.7522% (0.88   1.0 10.00   0.02   1.25) =   0.020%
          HA    ALA   12 - QB    MET   11   4.08 +/- 0.19   2.289% *  0.0272% (0.32   1.0  1.00   0.02  12.08) =   0.001%
          HA    ALA   12 - QG    GLU-  14   6.92 +/- 0.69   0.094% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.24 +/- 1.04   0.020% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.95 +/- 0.80   0.010% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.10 +/- 1.33   0.025% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.83 +/- 1.09   0.004% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  16.69 +/- 1.16   0.000% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.91 +/- 1.43   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.45 +/- 1.36   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.57 +/- 1.56   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.34 +/- 1.25   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.81 +/- 1.94   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.40 +/- 1.53   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.61 +/- 1.62   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.10 +/- 1.18   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.92 +/- 1.52   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.07 +/- 1.34   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.90 +/- 1.58   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.13 +/- 1.38   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  23.84 +/- 1.65   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.55 +/- 1.78   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  30.15 +/- 2.00   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.99 +/- 2.20   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  28.21 +/- 1.76   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  30.47 +/- 1.97   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  34.49 +/- 2.28   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  33.19 +/- 2.03   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.856, support = 3.27, residual support = 46.9:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.44 +/- 0.13  53.535% * 74.4402% (1.00  10.0 10.00   3.27  47.32) =  79.261%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.10  45.607% * 22.8520% (0.31  10.0 10.00   3.31  45.35) =  20.728%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.37 +/- 0.78   0.807% *  0.6550% (0.88   1.0 10.00   0.02   1.25) =   0.011%
        T HG3   MET   11 - QG    GLU-  14  10.19 +/- 1.23   0.015% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.43 +/- 1.08   0.021% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.53 +/- 0.92   0.003% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.76 +/- 1.26   0.009% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.10 +/- 1.17   0.001% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  18.01 +/- 1.44   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.07 +/- 1.39   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  20.97 +/- 2.58   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  27.93 +/- 1.93   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  27.15 +/- 1.45   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  21.16 +/- 1.71   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.70 +/- 2.02   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.83 +/- 1.54   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.86 +/- 3.59   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  35.68 +/- 2.41   0.000% *  0.0037% (0.05   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 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.997, support = 2.14, residual support = 10.3:
    * O T QG    GLU-  15 - HA    GLU-  15   2.66 +/- 0.63  89.976% * 49.8424% (1.00  10.0 10.00   2.09  11.26) =  90.786%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.65 +/- 0.61   9.462% * 48.1014% (0.97   1.0 10.00   2.70   1.25) =   9.214%  kept
          HB3   PHE   72 - HA    LEU   40   7.85 +/- 1.03   0.353% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  10.86 +/- 1.31   0.027% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.21 +/- 0.89   0.023% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  15   9.97 +/- 0.75   0.055% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.02 +/- 1.13   0.005% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  11.84 +/- 1.68   0.015% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  12.96 +/- 0.68   0.013% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  15.64 +/- 1.72   0.005% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  11.68 +/- 1.11   0.029% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  15.22 +/- 0.88   0.005% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.81 +/- 1.81   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.22 +/- 1.37   0.004% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.50 +/- 1.20   0.006% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  21.35 +/- 2.43   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.65 +/- 0.85   0.001% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.86 +/- 0.42   0.012% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  20.92 +/- 0.99   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  16.58 +/- 0.73   0.002% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.35 +/- 0.68   0.002% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  24.71 +/- 1.76   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  22.96 +/- 1.11   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.70 +/- 1.23   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  25.01 +/- 0.73   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  29.70 +/- 1.49   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  29.75 +/- 1.13   0.000% *  0.0013% (0.03   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 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.1, residual support = 11.3:
    * O T QB    GLU-  15 - HA    GLU-  15   2.38 +/- 0.17  95.916% * 95.2027% (1.00  10.0 10.00   3.10  11.26) =  99.990%  kept
        T HB2   GLN   17 - HA    GLU-  15   5.59 +/- 0.64   0.895% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.009%
        T HB3   PRO   68 - HA    GLU-  15  11.62 +/- 2.38   0.078% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QB    GLU-  15 - HA    LEU   40  10.86 +/- 1.42   0.014% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.35 +/- 1.65   2.466% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   6.42 +/- 0.78   0.375% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU-  15   7.78 +/- 0.66   0.103% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.15 +/- 1.38   0.008% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  13.84 +/- 1.27   0.003% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15   9.87 +/- 0.97   0.025% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  12.61 +/- 2.10   0.018% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  11.33 +/- 2.24   0.022% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.33 +/- 0.67   0.006% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.06 +/- 1.25   0.013% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.54 +/- 0.91   0.006% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  11.95 +/- 1.57   0.008% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  11.60 +/- 1.24   0.010% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.46 +/- 0.73   0.009% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.35 +/- 0.71   0.017% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.11 +/- 1.12   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.39 +/- 0.60   0.003% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.46 +/- 0.76   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  16.26 +/- 2.03   0.001% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  21.23 +/- 0.71   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  17.42 +/- 1.00   0.001% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.22 +/- 1.61   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.82 +/- 1.94   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.36 +/- 0.62   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.74 +/- 1.26   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.76 +/- 0.96   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.44 +/- 1.88   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  21.70 +/- 1.30   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  29.77 +/- 1.48   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.05 +/- 1.13   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.40 +/- 1.85   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.98 +/- 1.44   0.000% *  0.0031% (0.03   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 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.99, support = 2.14, residual support = 10.5:
    * O T HA    GLU-  15 - QG    GLU-  15   2.66 +/- 0.63  83.809% * 52.1759% (1.00  10.0 10.00   2.09  11.26) =  92.037%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.65 +/- 0.61   8.234% * 45.9069% (0.88   1.0 10.00   2.70   1.25) =   7.956%  kept
          HA    SER   13 - QG    GLU-  15   6.23 +/- 1.24   3.382% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - QG    GLU-  14   5.01 +/- 0.75   2.698% *  0.0459% (0.88   1.0  1.00   0.02   6.65) =   0.003%
        T HA    LEU   40 - QG    GLU-  15  10.86 +/- 1.31   0.024% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   6.98 +/- 0.31   0.396% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.60 +/- 0.57   0.802% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  14   7.86 +/- 0.95   0.316% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15   8.07 +/- 1.92   0.245% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.21 +/- 0.89   0.020% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.02 +/- 1.13   0.005% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  11.84 +/- 1.68   0.014% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  12.37 +/- 2.03   0.020% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  15.64 +/- 1.72   0.004% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  19.81 +/- 2.23   0.001% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.81 +/- 1.81   0.001% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  12.93 +/- 1.57   0.008% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.19 +/- 1.97   0.003% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.55 +/- 1.54   0.006% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  19.99 +/- 1.35   0.001% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.16 +/- 3.07   0.003% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.91 +/- 2.16   0.001% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  21.15 +/- 2.00   0.001% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  21.35 +/- 2.43   0.001% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  21.14 +/- 1.21   0.000% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.15 +/- 1.32   0.002% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  26.90 +/- 3.24   0.000% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  23.98 +/- 2.03   0.000% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  23.52 +/- 1.17   0.000% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.88 +/- 3.50   0.001% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.82 +/- 2.60   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.78 +/- 2.12   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  31.26 +/- 3.16   0.000% *  0.0031% (0.06   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 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   2.63 +/- 0.27  97.980% * 97.7872% (1.00  10.0 10.00   4.00  84.31) =  99.985%  kept
        T HB3   PRO   68 - HA    GLN   17   8.00 +/- 2.21   1.246% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.010%
        T QB    GLU-  15 - HA    GLN   17   6.74 +/- 0.19   0.408% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HG2   PRO   68 - HA    GLN   17   8.86 +/- 1.74   0.185% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLN   17   8.06 +/- 0.38   0.148% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  11.43 +/- 1.00   0.016% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  12.30 +/- 1.05   0.011% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.79 +/- 1.05   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.72 +/- 0.37   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.59 +/- 1.45   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  17.41 +/- 1.87   0.002% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  25.12 +/- 1.66   0.000% *  0.0969% (0.99   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 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   2.67 +/- 0.47  99.339% * 98.5118% (0.76  10.0 10.00   4.31  84.31) =  99.993%  kept
        T HB    VAL   70 - HA    GLN   17   6.89 +/- 1.27   0.648% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.007%
          HB2   MET   96 - HA    GLN   17  15.27 +/- 1.05   0.004% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  16.02 +/- 1.95   0.004% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.14 +/- 1.42   0.004% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.09 +/- 0.35   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.62 +/- 1.44   0.001% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.196, support = 3.54, residual support = 46.7:
      O T HA    GLU-  15 - QB    GLU-  15   2.38 +/- 0.17  61.451% * 36.8149% (0.15  10.0 10.00   3.10  11.26) =  51.470%  kept
    * O T HA    GLN   17 - HB2   GLN   17   2.63 +/- 0.27  36.801% * 57.9333% (0.24  10.0 10.00   4.00  84.31) =  48.506%  kept
        T HA    GLN   17 - HB3   PRO   68   8.00 +/- 2.21   0.504% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.017%
        T HA    GLU-  15 - HB2   GLN   17   5.59 +/- 0.64   0.613% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   17 - QB    GLU-  15   6.74 +/- 0.19   0.118% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB3   PRO   68  11.62 +/- 2.38   0.043% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QB    GLU-  15   5.97 +/- 0.66   0.327% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15   8.19 +/- 2.05   0.100% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.15 +/- 1.38   0.005% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  10.86 +/- 1.42   0.009% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.23 +/- 1.22   0.015% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  13.84 +/- 1.27   0.002% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.17 +/- 0.77   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  16.46 +/- 3.09   0.002% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.58 +/- 1.17   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.54 +/- 0.78   0.002% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  15.09 +/- 1.66   0.001% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.50 +/- 0.84   0.002% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  16.14 +/- 1.40   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  15.80 +/- 1.76   0.001% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  20.19 +/- 0.97   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  18.09 +/- 1.40   0.000% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  21.07 +/- 0.81   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  19.82 +/- 1.20   0.000% *  0.0342% (0.14   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 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   2.34 +/- 0.09  98.648% * 84.9728% (0.18  10.0 10.00   4.31  84.31) =  99.972%  kept
        T QG    GLN   17 - HB3   PRO   68   8.85 +/- 2.47   0.769% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.020%
        T QG    GLN   17 - QB    GLU-  15   6.27 +/- 0.90   0.400% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.005%
        T HB    VAL   70 - HB3   PRO   68   7.61 +/- 0.62   0.109% *  2.3301% (0.51   1.0 10.00   0.02   0.02) =   0.003%
        T HB    VAL   70 - HB2   GLN   17   9.17 +/- 1.10   0.038% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - QB    GLU-  15   9.93 +/- 0.85   0.020% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  12.64 +/- 2.20   0.006% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  15.77 +/- 1.98   0.002% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  17.82 +/- 1.88   0.001% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.95 +/- 1.28   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.55 +/- 0.72   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  17.26 +/- 0.86   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.45 +/- 2.13   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.74 +/- 0.85   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.66 +/- 1.65   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  16.90 +/- 0.86   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.02 +/- 1.58   0.001% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  21.42 +/- 1.57   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  18.90 +/- 1.20   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  20.24 +/- 1.31   0.000% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.82 +/- 1.23   0.000% *  0.0379% (0.08   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 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   2.67 +/- 0.47  84.770% * 99.2429% (0.76  10.0 10.00   4.31  84.31) =  99.990%  kept
          HA    GLU-  15 - QG    GLN   17   5.18 +/- 1.17  13.177% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.009%
        T HA    GLN   17 - HB    VAL   70   6.89 +/- 1.27   0.530% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HB    VAL   70   6.05 +/- 0.64   0.904% *  0.0123% (0.09   1.0  1.00   0.02   1.45) =   0.000%
          HA    SER   13 - QG    GLN   17   9.35 +/- 1.45   0.144% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.81 +/- 0.58   0.381% *  0.0076% (0.06   1.0  1.00   0.02  36.60) =   0.000%
          HA    SER   37 - QG    GLN   17  13.45 +/- 1.84   0.012% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  11.70 +/- 1.02   0.014% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  12.18 +/- 1.10   0.012% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  10.28 +/- 0.80   0.033% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  13.69 +/- 1.93   0.005% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.69 +/- 1.77   0.002% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.65 +/- 0.51   0.006% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  15.52 +/- 0.75   0.003% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.50 +/- 0.99   0.004% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.82 +/- 1.04   0.002% *  0.0115% (0.09   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 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   2.34 +/- 0.09  97.692% * 95.9708% (0.76  10.0 10.00   4.31  84.31) =  99.989%  kept
        T HB3   PRO   68 - QG    GLN   17   8.85 +/- 2.47   0.762% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.006%
        T QB    GLU-  15 - QG    GLN   17   6.27 +/- 0.90   0.396% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QG    GLN   17   6.72 +/- 1.34   0.388% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.61 +/- 0.62   0.108% *  0.1574% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70   9.17 +/- 1.10   0.038% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17   9.69 +/- 2.17   0.118% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   9.93 +/- 0.85   0.020% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.89 +/- 1.39   0.393% *  0.0096% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17   9.94 +/- 1.80   0.031% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.73 +/- 1.56   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.97 +/- 1.41   0.013% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  16.93 +/- 1.68   0.001% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.23 +/- 0.68   0.015% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.04 +/- 0.93   0.004% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.35 +/- 1.25   0.005% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.48 +/- 0.76   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  18.72 +/- 1.43   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.10 +/- 1.98   0.002% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.15 +/- 1.34   0.006% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.11 +/- 1.20   0.002% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.71 +/- 1.42   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  23.50 +/- 2.13   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.28 +/- 1.73   0.000% *  0.0195% (0.16   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 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.8:
    * O T HB    VAL   18 - HA    VAL   18   2.75 +/- 0.20  99.203% * 99.6862% (1.00  10.0 10.00   3.44  76.78) =  99.999%  kept
          HB2   LEU   67 - HA    VAL   18   6.82 +/- 1.32   0.771% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  11.37 +/- 1.02   0.023% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  17.96 +/- 1.18   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  19.27 +/- 1.18   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  22.97 +/- 1.26   0.000% *  0.0894% (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 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.8:
    * O T QG1   VAL   18 - HA    VAL   18   2.17 +/- 0.28  99.094% * 98.7319% (1.00  10.0 10.00   4.00  76.78) =  99.993%  kept
        T QG1   VAL   70 - HA    VAL   18   6.63 +/- 1.40   0.654% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.006%
          QD1   LEU   71 - HA    VAL   18   6.37 +/- 0.77   0.230% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   9.59 +/- 1.12   0.019% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.66 +/- 1.33   0.003% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.32 +/- 0.97   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.98 +/- 1.83   0.001% *  0.0195% (0.20   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 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 76.4:
    * O T QG2   VAL   18 - HA    VAL   18   2.93 +/- 0.28  94.702% * 85.7570% (1.00  10.0 10.00   4.00  76.78) =  99.300%  kept
          QD1   ILE   19 - HA    VAL   18   5.10 +/- 0.54   4.399% * 12.9198% (0.73   1.0  1.00   4.15  23.20) =   0.695%  kept
        T QG1   VAL   41 - HA    VAL   18   7.39 +/- 1.04   0.553% *  0.6554% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          QG1   VAL   43 - HA    VAL   18   8.30 +/- 0.91   0.265% *  0.0792% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18  11.17 +/- 1.44   0.050% *  0.0841% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  14.56 +/- 1.14   0.008% *  0.4855% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.07 +/- 0.87   0.024% *  0.0191% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.8:
    * O T HA    VAL   18 - HB    VAL   18   2.75 +/- 0.20  99.882% * 99.3791% (1.00  10.0 10.00   3.44  76.78) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18   8.89 +/- 1.04   0.104% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  15.35 +/- 1.00   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  16.40 +/- 0.94   0.003% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  17.10 +/- 1.70   0.002% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  17.66 +/- 1.40   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  17.20 +/- 0.90   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  19.78 +/- 1.67   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  20.09 +/- 1.86   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.22 +/- 1.34   0.000% *  0.0484% (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 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.8:
    * O T QG1   VAL   18 - HB    VAL   18   2.11 +/- 0.02  99.586% * 99.5994% (1.00  10.0 10.00   3.44  76.78) = 100.000%  kept
          QG1   VAL   70 - HB    VAL   18   7.08 +/- 1.66   0.339% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   8.53 +/- 1.26   0.040% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   8.35 +/- 0.87   0.032% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  12.84 +/- 1.33   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.47 +/- 2.04   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.02 +/- 1.36   0.000% *  0.0485% (0.49   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 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 76.8:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.838% * 98.4101% (1.00  10.0 10.00   3.27  76.78) = 100.000%  kept
        T QG1   VAL   41 - HB    VAL   18   9.18 +/- 1.08   0.019% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   18   6.92 +/- 0.52   0.098% *  0.0715% (0.73   1.0  1.00   0.02  23.20) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.01 +/- 1.08   0.023% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   9.85 +/- 1.56   0.019% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  15.46 +/- 1.35   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  13.88 +/- 0.96   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.8:
    * O T HA    VAL   18 - QG1   VAL   18   2.17 +/- 0.28  99.819% * 97.2871% (1.00  10.0 10.00   4.00  76.78) =  99.999%  kept
        T HA    VAL   70 - QG1   VAL   18   6.78 +/- 1.13   0.165% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   48 - QG1   VAL   18  13.75 +/- 1.47   0.003% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  15.43 +/- 1.53   0.001% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  12.18 +/- 0.76   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  12.85 +/- 0.62   0.003% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.36 +/- 1.28   0.002% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.41 +/- 0.72   0.002% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.25 +/- 1.08   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  16.20 +/- 1.56   0.001% *  0.0270% (0.28   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 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 76.8:
    * O T HB    VAL   18 - QG1   VAL   18   2.11 +/- 0.02  96.178% * 99.6862% (1.00  10.0 10.00   3.44  76.78) =  99.996%  kept
          HB2   LEU   67 - QG1   VAL   18   4.94 +/- 1.99   3.807% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.004%
          HB2   LEU   40 - QG1   VAL   18   9.99 +/- 1.21   0.011% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  13.13 +/- 0.99   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  14.31 +/- 1.18   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  17.17 +/- 1.13   0.000% *  0.0894% (0.90   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 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.8:
    * O T QG2   VAL   18 - QG1   VAL   18   2.06 +/- 0.04  99.355% * 98.4101% (1.00  10.0 10.00   4.00  76.78) =  99.999%  kept
        T QG1   VAL   41 - QG1   VAL   18   6.75 +/- 0.87   0.108% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG1   VAL   18   5.70 +/- 0.41   0.259% *  0.0715% (0.73   1.0  1.00   0.02  23.20) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   6.35 +/- 0.77   0.162% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG1   VAL   18   7.71 +/- 1.46   0.106% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.01 +/- 1.22   0.003% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.40 +/- 1.03   0.007% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 76.8:
    * O T HA    VAL   18 - QG2   VAL   18   2.93 +/- 0.28  93.240% * 97.9277% (1.00  10.0 10.00   4.00  76.78) =  99.992%  kept
        T HA    VAL   18 - QG1   VAL   41   7.39 +/- 1.04   0.539% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   70 - QG1   VAL   41   5.20 +/- 0.70   4.426% *  0.0514% (0.52   1.0  1.00   0.02   2.73) =   0.002%
          HA    LYS+  33 - QG1   VAL   41   7.00 +/- 0.37   0.568% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.99 +/- 0.54   0.654% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   8.18 +/- 0.75   0.240% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.24 +/- 0.62   0.110% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  13.12 +/- 0.84   0.013% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  14.56 +/- 1.14   0.008% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.56 +/- 1.08   0.112% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  13.62 +/- 1.29   0.014% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  13.70 +/- 0.95   0.010% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  14.86 +/- 1.46   0.008% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  16.09 +/- 1.03   0.004% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  16.08 +/- 1.52   0.005% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  14.64 +/- 0.75   0.007% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  16.29 +/- 1.48   0.005% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.51 +/- 1.01   0.002% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  16.92 +/- 0.87   0.003% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  15.27 +/- 1.28   0.006% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.36 +/- 0.92   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.25 +/- 0.69   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.81 +/- 1.22   0.007% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.24 +/- 1.62   0.010% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  17.57 +/- 1.56   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.07 +/- 0.91   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  18.05 +/- 1.66   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.36 +/- 1.64   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.06 +/- 1.15   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.41 +/- 0.88   0.001% *  0.0042% (0.04   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 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 76.8:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  98.850% * 98.5012% (1.00  10.0 10.00   3.27  76.78) =  99.999%  kept
          HB2   LEU   67 - QG2   VAL   18   5.84 +/- 1.13   0.536% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41   9.18 +/- 1.08   0.019% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   41   5.35 +/- 0.19   0.404% *  0.0257% (0.26   1.0  1.00   0.02  19.69) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   8.91 +/- 1.17   0.024% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.78 +/- 0.97   0.151% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.45 +/- 0.87   0.005% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  12.81 +/- 1.33   0.003% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  15.46 +/- 1.35   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.21 +/- 1.95   0.005% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  14.93 +/- 1.26   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  16.98 +/- 1.22   0.000% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.39 +/- 0.89   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.16 +/- 0.97   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.44 +/- 0.76   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.94 +/- 0.71   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  20.36 +/- 1.47   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.79 +/- 1.00   0.000% *  0.0136% (0.14   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 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.97, support = 4.04, residual support = 81.3:
    * O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.04  65.149% * 90.9635% (1.00  10.0 10.00   4.00  76.78) =  96.766%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.44 +/- 0.36  29.053% *  6.8036% (0.07  10.0 10.00   5.28 216.51) =   3.228%  kept
          QD1   LEU   71 - QG1   VAL   41   4.16 +/- 1.14   5.224% *  0.0581% (0.64   1.0  1.00   0.02   0.97) =   0.005%
        T QG1   VAL   18 - QG1   VAL   41   6.75 +/- 0.87   0.070% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG2   VAL   18   6.53 +/- 1.26   0.178% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   5.72 +/- 0.58   0.169% *  0.0681% (0.75   1.0  1.00   0.02   2.73) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.35 +/- 0.61   0.037% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.32 +/- 0.75   0.041% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41  10.13 +/- 0.62   0.005% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.80 +/- 1.24   0.044% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.01 +/- 1.46   0.005% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.01 +/- 1.22   0.002% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.52 +/- 1.22   0.005% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.60 +/- 1.11   0.000% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.84 +/- 1.26   0.001% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.38 +/- 1.18   0.005% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.12 +/- 1.63   0.004% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  14.57 +/- 1.77   0.002% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.05 +/- 1.15   0.002% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.14 +/- 0.92   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.29 +/- 0.36   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 = 171.6:
    * O T HB    ILE   19 - HA    ILE   19   2.99 +/- 0.05  97.755% * 98.7896% (1.00  10.0 10.00   5.75 171.55) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.91 +/- 0.67   2.003% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.53 +/- 0.69   0.206% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.47 +/- 0.51   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.96 +/- 1.64   0.009% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.41 +/- 2.28   0.017% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.82 +/- 0.75   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  20.32 +/- 1.48   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  22.67 +/- 1.16   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  27.26 +/- 1.32   0.000% *  0.0481% (0.49   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 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 171.5:
    * O T HG12  ILE   19 - HA    ILE   19   3.24 +/- 0.53  94.206% * 98.1529% (1.00  10.0 10.00   6.31 171.55) =  99.990%  kept
        T HG    LEU   73 - HA    ILE   19   6.57 +/- 0.80   2.088% *  0.3348% (0.34   1.0 10.00   0.02   4.43) =   0.008%
          HB3   LYS+  74 - HA    ILE   19   6.47 +/- 0.80   3.219% *  0.0556% (0.57   1.0  1.00   0.02   8.51) =   0.002%
        T HG    LEU   80 - HA    ILE   19  12.84 +/- 1.08   0.038% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    ILE   19  10.25 +/- 1.36   0.189% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  10.51 +/- 1.21   0.193% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  13.87 +/- 0.78   0.021% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  13.75 +/- 0.72   0.023% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.21 +/- 0.77   0.019% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  21.38 +/- 1.01   0.002% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.80 +/- 2.43   0.002% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.22 +/- 1.32   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.09 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.6:
    * O T HG13  ILE   19 - HA    ILE   19   2.49 +/- 0.38  99.578% * 98.2804% (1.00  10.0 10.00   5.75 171.55) =  99.999%  kept
        T HG    LEU   71 - HA    ILE   19   8.20 +/- 0.88   0.123% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   7.66 +/- 1.19   0.196% *  0.0907% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          QG2   THR   39 - HA    ILE   19   9.55 +/- 0.84   0.054% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19   9.58 +/- 0.59   0.044% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  17.35 +/- 1.49   0.001% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.89 +/- 0.93   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  18.19 +/- 1.11   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  20.80 +/- 0.66   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  19.80 +/- 0.88   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  28.05 +/- 1.43   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.984, support = 4.77, residual support = 162.9:
    *   T QD1   ILE   19 - HA    ILE   19   3.32 +/- 0.25  74.033% * 84.6669% (1.00 10.00   4.76 171.55) =  94.186%  kept
          QG2   VAL   18 - HA    ILE   19   4.25 +/- 0.71  25.629% * 15.0966% (0.73  1.00   4.91  23.20) =   5.814%  kept
          QG1   VAL   41 - HA    ILE   19   9.32 +/- 0.87   0.171% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.32 +/- 0.96   0.099% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    ILE   19  11.99 +/- 1.38   0.048% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.55 +/- 1.06   0.004% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  13.65 +/- 0.90   0.016% *  0.0168% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.28 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.6:
    * O T HA    ILE   19 - HB    ILE   19   2.99 +/- 0.05  99.795% * 98.6066% (1.00  10.0 10.00   5.75 171.55) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  12.36 +/- 0.37   0.021% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19   8.64 +/- 0.44   0.182% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  18.68 +/- 0.97   0.002% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  21.01 +/- 1.19   0.001% *  0.0884% (0.90   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 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 = 0.971, support = 5.13, residual support = 164.1:
    * O T HG12  ILE   19 - HB    ILE   19   2.49 +/- 0.33  84.148% * 78.5328% (1.00  10.0 10.00   5.30 171.55) =  95.562%  kept
        T HG    LEU   73 - HB    ILE   19   4.05 +/- 0.96  15.543% * 19.7440% (0.34   1.0 10.00   1.47   4.43) =   4.438%  kept
        T HB3   LEU   67 - HB    ILE   19  10.50 +/- 1.23   0.025% *  0.5703% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    ILE   19   6.77 +/- 0.73   0.243% *  0.0445% (0.57   1.0  1.00   0.02   8.51) =   0.000%
        T HG    LEU   80 - HB    ILE   19  11.36 +/- 1.14   0.011% *  0.7698% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  11.09 +/- 1.11   0.013% *  0.0681% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  12.39 +/- 0.76   0.006% *  0.0600% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.08 +/- 0.84   0.008% *  0.0242% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.54 +/- 0.52   0.003% *  0.0413% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  20.86 +/- 0.78   0.000% *  0.0778% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.90 +/- 2.61   0.000% *  0.0476% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.79 +/- 1.36   0.000% *  0.0196% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    * O T HG13  ILE   19 - HB    ILE   19   2.78 +/- 0.23  98.533% * 97.6364% (1.00  10.0 10.00   5.00 171.55) =  99.991%  kept
        T HG    LEU   71 - HB    ILE   19   7.30 +/- 0.96   0.634% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  74 - HB    ILE   19   8.02 +/- 1.03   0.326% *  0.9013% (0.92   1.0 10.00   0.02   8.51) =   0.003%
          QG2   THR   39 - HB    ILE   19   8.55 +/- 0.73   0.157% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   7.43 +/- 0.52   0.339% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  17.10 +/- 0.87   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  16.19 +/- 0.83   0.003% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  17.24 +/- 1.46   0.002% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  19.81 +/- 0.68   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  17.98 +/- 0.97   0.002% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  27.28 +/- 1.37   0.000% *  0.1932% (0.20   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 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 171.5:
    * O T QD1   ILE   19 - HB    ILE   19   2.66 +/- 0.31  96.709% * 99.6493% (1.00  10.0 10.00   4.02 171.55) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.22 +/- 0.74   2.724% *  0.0724% (0.73   1.0  1.00   0.02  23.20) =   0.002%
          QG1   VAL   41 - HB    ILE   19   7.35 +/- 0.78   0.340% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    ILE   19   8.45 +/- 1.12   0.186% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  11.94 +/- 1.17   0.016% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.71 +/- 0.97   0.022% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.98 +/- 1.01   0.003% *  0.0962% (0.97   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 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 171.5:
    * O T HA    ILE   19 - HG12  ILE   19   3.24 +/- 0.53  95.060% * 98.8520% (1.00  10.0 10.00   6.31 171.55) =  99.992%  kept
        T HA    ILE   19 - HG    LEU   73   6.57 +/- 0.80   2.128% *  0.3228% (0.33   1.0 10.00   0.02   4.43) =   0.007%
          HA    GLU-  25 - HG    LEU   80   8.54 +/- 1.15   0.672% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  12.84 +/- 1.08   0.039% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.18 +/- 0.72   0.516% *  0.0152% (0.15   1.0  1.00   0.02   0.20) =   0.000%
          HA    THR   26 - HG    LEU   73   7.80 +/- 0.80   0.941% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  10.22 +/- 0.79   0.175% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19   9.68 +/- 0.77   0.186% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.65 +/- 0.75   0.232% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  13.66 +/- 0.52   0.023% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.52 +/- 1.92   0.006% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  15.21 +/- 1.13   0.015% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  22.34 +/- 1.35   0.001% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  19.30 +/- 1.58   0.003% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  20.53 +/- 0.86   0.002% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.971, support = 5.14, residual support = 164.5:
    * O T HB    ILE   19 - HG12  ILE   19   2.49 +/- 0.33  83.953% * 79.7358% (1.00  10.0 10.00   5.30 171.55) =  95.750%  kept
        T HB    ILE   19 - HG    LEU   73   4.05 +/- 0.96  15.479% * 19.1929% (0.33   1.0 10.00   1.47   4.43) =   4.249%  kept
          HB2   GLN   17 - HG12  ILE   19   6.97 +/- 1.08   0.292% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.41 +/- 1.02   0.142% *  0.0451% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  11.36 +/- 1.14   0.011% *  0.3270% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.99 +/- 1.32   0.057% *  0.0250% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.10 +/- 1.40   0.018% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.08 +/- 0.87   0.004% *  0.0609% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  11.16 +/- 0.81   0.012% *  0.0199% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.62 +/- 1.50   0.016% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  14.76 +/- 1.75   0.003% *  0.0790% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  14.33 +/- 2.19   0.006% *  0.0178% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  16.61 +/- 1.54   0.002% *  0.0258% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  19.92 +/- 1.86   0.000% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.83 +/- 1.49   0.000% *  0.0790% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  17.78 +/- 1.41   0.001% *  0.0185% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  19.31 +/- 1.33   0.000% *  0.0258% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  16.75 +/- 1.77   0.002% *  0.0058% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.65 +/- 1.15   0.001% *  0.0185% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  22.00 +/- 1.40   0.000% *  0.0328% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  22.93 +/- 1.80   0.000% *  0.0324% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  23.21 +/- 1.30   0.000% *  0.0299% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.45 +/- 2.08   0.000% *  0.0123% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  21.14 +/- 1.89   0.000% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  20.78 +/- 0.99   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.64 +/- 0.85   0.000% *  0.0107% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.48 +/- 2.00   0.000% *  0.0159% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  27.51 +/- 1.85   0.000% *  0.0388% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  24.56 +/- 1.75   0.000% *  0.0127% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.34 +/- 1.76   0.000% *  0.0073% (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 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 = 171.5:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.455% * 96.9096% (1.00  10.0 10.00   5.30 171.55) =  99.997%  kept
        T HG    LEU   71 - HG12  ILE   19   6.28 +/- 1.53   0.266% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.002%
        T HG13  ILE   19 - HG    LEU   73   6.62 +/- 1.12   0.119% *  0.3165% (0.33   1.0 10.00   0.02   4.43) =   0.000%
          QG2   THR   39 - HG12  ILE   19   7.77 +/- 1.58   0.032% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   73   9.41 +/- 1.77   0.009% *  0.2838% (0.29   1.0 10.00   0.02   0.36) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   7.68 +/- 1.05   0.023% *  0.0292% (0.30   1.0  1.00   0.02  40.10) =   0.000%
          QB    ALA   34 - HG12  ILE   19   7.39 +/- 1.43   0.031% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.44 +/- 1.08   0.006% *  0.0895% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.98 +/- 1.08   0.043% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  13.89 +/- 1.00   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.89 +/- 1.51   0.005% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   9.69 +/- 1.14   0.005% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  17.42 +/- 1.54   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  11.12 +/- 1.34   0.002% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.83 +/- 1.99   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.88 +/- 0.93   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  15.50 +/- 1.69   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  12.59 +/- 1.12   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.16 +/- 1.53   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  16.60 +/- 1.41   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.62 +/- 2.12   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  18.18 +/- 1.39   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  17.24 +/- 1.13   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  14.47 +/- 1.47   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  16.42 +/- 1.39   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  15.98 +/- 2.13   0.000% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  21.17 +/- 1.07   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  19.63 +/- 1.46   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.54 +/- 1.47   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.09 +/- 1.31   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.33 +/- 2.06   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  28.40 +/- 1.82   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  25.14 +/- 1.76   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 = 4.14, residual support = 171.5:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  95.440% * 98.4260% (1.00  10.0 10.00   4.14 171.55) =  99.995%  kept
        T QD1   ILE   19 - HG    LEU   73   5.42 +/- 1.14   1.217% *  0.3214% (0.33   1.0 10.00   0.02   4.43) =   0.004%
          QG1   VAL   43 - HG    LEU   73   6.11 +/- 1.37   2.339% *  0.0156% (0.16   1.0  1.00   0.02   1.30) =   0.000%
          QG2   VAL   18 - HG12  ILE   19   5.78 +/- 0.76   0.357% *  0.0715% (0.73   1.0  1.00   0.02  23.20) =   0.000%
          QG2   VAL   18 - HG    LEU   73   6.57 +/- 1.00   0.194% *  0.0233% (0.24   1.0  1.00   0.02   0.35) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   7.36 +/- 1.70   0.145% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.54 +/- 0.75   0.004% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   73   6.79 +/- 1.01   0.145% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.65 +/- 1.47   0.038% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.45 +/- 1.63   0.023% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.55 +/- 1.49   0.051% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  12.37 +/- 1.71   0.004% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.19 +/- 1.29   0.004% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.46 +/- 1.18   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  11.00 +/- 1.32   0.007% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  13.31 +/- 1.17   0.002% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   9.70 +/- 0.83   0.013% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.09 +/- 1.79   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.44 +/- 1.19   0.003% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  14.93 +/- 1.28   0.001% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.75 +/- 1.37   0.000% *  0.0390% (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 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 171.6:
    * O T HA    ILE   19 - HG13  ILE   19   2.49 +/- 0.38  99.831% * 98.6722% (1.00  10.0 10.00   5.75 171.55) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.20 +/- 0.88   0.124% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  10.51 +/- 0.67   0.034% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.57 +/- 0.48   0.004% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  22.30 +/- 1.32   0.000% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  24.23 +/- 1.07   0.000% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  13.87 +/- 1.32   0.005% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  17.47 +/- 1.49   0.001% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.27 +/- 0.85   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  23.94 +/- 1.96   0.000% *  0.0053% (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 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 171.5:
    * O T HB    ILE   19 - HG13  ILE   19   2.78 +/- 0.23  88.533% * 98.7569% (1.00  10.0 10.00   5.00 171.55) =  99.997%  kept
          HB2   GLN   17 - HG13  ILE   19   5.90 +/- 0.75   1.654% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
        T HB    ILE   19 - HG    LEU   71   7.30 +/- 0.96   0.591% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   4.87 +/- 1.42   8.088% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.89 +/- 0.75   0.541% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71   7.68 +/- 1.59   0.495% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  14.34 +/- 1.75   0.007% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.54 +/- 1.32   0.025% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.89 +/- 0.66   0.004% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  13.77 +/- 2.27   0.012% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.09 +/- 1.83   0.046% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  27.61 +/- 1.52   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.97 +/- 1.02   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.60 +/- 1.45   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  18.48 +/- 1.44   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  23.18 +/- 1.09   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  27.08 +/- 1.49   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.17 +/- 1.09   0.001% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  23.23 +/- 1.09   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  23.04 +/- 1.14   0.000% *  0.0053% (0.05   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 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 171.6:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.569% * 97.7565% (1.00  10.0 10.00   5.30 171.55) =  99.999%  kept
        T HG    LEU   73 - HG13  ILE   19   6.62 +/- 1.12   0.119% *  0.3335% (0.34   1.0 10.00   0.02   4.43) =   0.000%
        T HG12  ILE   19 - HG    LEU   71   6.28 +/- 1.53   0.266% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.30 +/- 0.87   0.012% *  0.0553% (0.57   1.0  1.00   0.02   8.51) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  13.89 +/- 1.00   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG    LEU   71   9.41 +/- 1.77   0.009% *  0.0478% (0.05   1.0 10.00   0.02   0.36) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.07 +/- 1.35   0.004% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.47 +/- 1.31   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.56 +/- 1.45   0.012% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.01 +/- 0.79   0.000% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  14.90 +/- 0.67   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.09 +/- 1.10   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  17.42 +/- 1.54   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.55 +/- 1.31   0.003% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.74 +/- 1.06   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.66 +/- 0.96   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.41 +/- 1.20   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  21.27 +/- 2.87   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  22.01 +/- 0.87   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  20.76 +/- 1.79   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.59 +/- 2.80   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  18.18 +/- 1.47   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  17.14 +/- 1.84   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  22.48 +/- 0.81   0.000% *  0.0139% (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 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 = 4.02, residual support = 171.5:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  95.457% * 99.4572% (1.00  10.0 10.00   4.02 171.55) =  99.996%  kept
        T QD1   ILE   19 - HG    LEU   71   5.14 +/- 1.15   1.961% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   18 - HG13  ILE   19   5.26 +/- 0.60   0.578% *  0.0722% (0.73   1.0  1.00   0.02  23.20) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.39 +/- 1.37   1.852% *  0.0044% (0.04   1.0  1.00   0.02   0.97) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   7.95 +/- 1.23   0.059% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.02 +/- 1.18   0.013% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   7.92 +/- 0.84   0.051% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  13.32 +/- 1.26   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   9.89 +/- 1.28   0.016% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.44 +/- 1.29   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  12.95 +/- 1.17   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  13.10 +/- 1.35   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.39 +/- 1.26   0.006% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  15.99 +/- 1.25   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 171.6:
    *   T HA    ILE   19 - QD1   ILE   19   3.32 +/- 0.25  98.915% * 99.7561% (1.00 10.00   4.76 171.55) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   7.46 +/- 0.66   0.995% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.08 +/- 0.53   0.082% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  19.93 +/- 1.12   0.003% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  17.57 +/- 0.78   0.005% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.10 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 171.5:
    * O T HB    ILE   19 - QD1   ILE   19   2.66 +/- 0.31  97.209% * 99.4654% (1.00  10.0 10.00   4.02 171.55) =  99.998%  kept
          QB    GLU-  15 - QD1   ILE   19   5.62 +/- 1.01   2.097% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   ILE   19   6.41 +/- 0.66   0.641% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE   19  11.37 +/- 0.74   0.020% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  13.12 +/- 1.49   0.011% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.67 +/- 1.81   0.019% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.31 +/- 0.70   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  19.61 +/- 1.07   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  20.66 +/- 1.06   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  24.21 +/- 1.28   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 171.5:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  98.678% * 97.8860% (1.00  10.0 10.00   4.14 171.55) =  99.996%  kept
        T HG    LEU   73 - QD1   ILE   19   5.42 +/- 1.14   1.238% *  0.3339% (0.34   1.0 10.00   0.02   4.43) =   0.004%
        T HG    LEU   80 - QD1   ILE   19  11.54 +/- 0.75   0.005% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   19   7.96 +/- 0.63   0.045% *  0.0554% (0.57   1.0  1.00   0.02   8.51) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  10.89 +/- 0.87   0.007% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19   9.74 +/- 0.96   0.014% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.93 +/- 1.03   0.007% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.48 +/- 0.47   0.003% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  13.09 +/- 0.56   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.75 +/- 2.42   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  19.38 +/- 0.79   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  17.03 +/- 1.20   0.000% *  0.0244% (0.25   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 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.02, residual support = 171.5:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  97.342% * 98.6077% (1.00  10.0 10.00   4.02 171.55) =  99.981%  kept
        T HG    LEU   71 - QD1   ILE   19   5.14 +/- 1.15   1.979% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.018%
          QG2   THR   39 - QD1   ILE   19   6.52 +/- 1.03   0.409% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.13 +/- 0.69   0.240% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.02 +/- 0.94   0.024% *  0.0910% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  12.61 +/- 1.04   0.003% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.40 +/- 0.95   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  16.30 +/- 1.32   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  18.56 +/- 0.61   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.24 +/- 0.69   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  24.96 +/- 1.34   0.000% *  0.0195% (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 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.998% * 99.6998% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.57 +/- 0.44   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  16.49 +/- 0.85   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  19.10 +/- 1.72   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.14 +/- 1.35   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  19.02 +/- 0.53   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  26.02 +/- 1.78   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 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.987% * 99.9427% (1.00  10.0 10.00   2.31  15.23) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.53 +/- 0.62   0.013% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.67 +/- 0.82   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.71, residual support = 28.4:
    * O T HB2   CYS   21 - HA    CYS   21   2.71 +/- 0.28  99.995% * 99.9059% (1.00  10.0 10.00   2.71  28.37) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  14.69 +/- 0.80   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  27.00 +/- 0.77   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.42, residual support = 28.4:
    * O T HB3   CYS   21 - HA    CYS   21   2.43 +/- 0.07  99.999% * 99.9348% (0.69  10.0 10.00   2.42  28.37) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.84 +/- 1.06   0.001% *  0.0652% (0.45   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 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 = 2.36, residual support = 28.4:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00 100.000% * 99.9348% (0.69  10.0 10.00   2.36  28.37) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.47 +/- 1.04   0.000% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.36, residual support = 28.4:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.36  28.37) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  13.40 +/- 1.22   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  25.94 +/- 1.05   0.000% *  0.0566% (0.39   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 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 = 34.4:
    * O T HB2   HIS   22 - HA    HIS   22   2.60 +/- 0.29  99.999% * 99.8331% (0.76  10.0 10.00   2.32  34.42) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  18.47 +/- 1.07   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  23.30 +/- 2.34   0.000% *  0.0425% (0.32   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 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HB3   HIS   22 - HA    HIS   22   2.86 +/- 0.25  99.999% * 99.9165% (0.95  10.0 10.00   3.46  34.42) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  23.42 +/- 2.58   0.001% *  0.0835% (0.79   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 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.32, residual support = 34.4:
    * O T HA    HIS   22 - HB2   HIS   22   2.60 +/- 0.29  99.995% * 99.7956% (0.76  10.0 10.00   2.32  34.42) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  14.10 +/- 0.97   0.004% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  22.66 +/- 0.92   0.000% *  0.1046% (0.79   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 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.4:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.42) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.64 +/- 3.58   0.000% *  0.0835% (0.67   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 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.4:
    * O T HA    HIS   22 - HB3   HIS   22   2.86 +/- 0.25  99.992% * 99.7956% (0.95  10.0 10.00   3.46  34.42) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  14.43 +/- 0.73   0.008% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.71 +/- 1.12   0.000% *  0.1046% (0.99   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 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.4:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.42) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  20.63 +/- 1.13   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.09 +/- 2.26   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.1:
    * O T QG2   THR   23 - HA    THR   23   2.25 +/- 0.22  99.984% * 99.3383% (0.80  10.0 10.00   3.25  19.15) = 100.000%  kept
          QG2   THR   77 - HA    THR   23  10.77 +/- 0.80   0.012% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.69 +/- 0.32   0.002% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  17.23 +/- 0.86   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  17.26 +/- 0.73   0.001% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  18.66 +/- 1.85   0.000% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.32 +/- 0.70   0.000% *  0.0445% (0.36   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 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.646, support = 3.25, residual support = 19.1:
    * O T HA    THR   23 - QG2   THR   23   2.25 +/- 0.22  45.202% * 73.9129% (0.80  10.0 10.00   3.25  19.15) =  70.450%  kept
      O   HB    THR   23 - QG2   THR   23   2.16 +/- 0.01  54.604% * 25.6645% (0.28  10.0  1.00   3.25  19.15) =  29.550%  kept
          HA    LEU   80 - QG2   THR   23   6.55 +/- 1.20   0.183% *  0.0379% (0.41   1.0  1.00   0.02   5.60) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.64 +/- 0.90   0.004% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91  10.53 +/- 0.99   0.005% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  17.23 +/- 0.86   0.000% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  17.26 +/- 0.73   0.000% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  13.14 +/- 0.91   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.43 +/- 1.29   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.27 +/- 1.07   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  21.19 +/- 0.65   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  19.10 +/- 0.79   0.000% *  0.0027% (0.03   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 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.4:
    * O T QG1   VAL   24 - HA    VAL   24   2.70 +/- 0.51  99.946% * 99.7332% (1.00  10.0 10.00   3.43  65.39) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24  10.40 +/- 0.37   0.051% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  18.04 +/- 0.79   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  23.41 +/- 1.47   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  29.18 +/- 1.58   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.14 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 65.4:
    * O T HA    VAL   24 - QG1   VAL   24   2.70 +/- 0.51  99.994% * 99.8757% (1.00  10.0 10.00   3.43  65.39) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.58 +/- 0.71   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  15.33 +/- 1.19   0.004% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  20.23 +/- 1.51   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 127.7:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.94 +/- 0.06  99.968% * 99.2829% (1.00  10.0 10.00   5.19 127.75) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.53 +/- 1.32   0.014% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  17.53 +/- 1.42   0.003% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.96 +/- 1.07   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.04 +/- 1.40   0.007% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.21 +/- 0.81   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.78 +/- 0.48   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  22.00 +/- 1.50   0.001% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  22.93 +/- 1.09   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.60 +/- 1.45   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.66 +/- 1.67   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  26.59 +/- 1.63   0.000% *  0.0056% (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 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.7:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.79 +/- 0.09  99.893% * 98.0202% (1.00  10.0 10.00   5.00 127.75) = 100.000%  kept
        T HB    ILE   19 - HA    GLU-  25  12.36 +/- 0.37   0.014% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  12.74 +/- 1.45   0.016% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   9.55 +/- 0.64   0.070% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  18.68 +/- 0.97   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.22 +/- 1.09   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.01 +/- 0.65   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.34 +/- 1.12   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.03 +/- 0.95   0.001% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.51 +/- 1.08   0.002% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.12 +/- 1.16   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.31 +/- 1.39   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.97 +/- 1.11   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.17 +/- 1.21   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  25.16 +/- 1.42   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.97 +/- 1.71   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  28.76 +/- 1.58   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  29.50 +/- 1.26   0.000% *  0.0193% (0.20   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 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.7:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.13 +/- 0.18  99.984% * 99.4877% (1.00  10.0 10.00   4.31 127.75) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  12.70 +/- 1.47   0.003% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82  10.00 +/- 0.40   0.011% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  16.05 +/- 1.37   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.69 +/- 0.86   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  18.10 +/- 0.98   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  33.28 +/- 1.27   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.81 +/- 1.21   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  29.50 +/- 1.42   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  28.32 +/- 1.31   0.000% *  0.0090% (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 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.7:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.40 +/- 0.07  99.700% * 99.2510% (1.00  10.0 10.00   3.74 127.75) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  13.53 +/- 1.41   0.033% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.94 +/- 1.05   0.066% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.01 +/- 0.69   0.169% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.86 +/- 1.04   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  17.54 +/- 1.84   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  16.69 +/- 2.31   0.012% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.24 +/- 1.87   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  24.96 +/- 2.45   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.38 +/- 1.30   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.91 +/- 1.34   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  27.43 +/- 1.29   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  26.30 +/- 1.39   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  24.86 +/- 1.32   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.23 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 127.7:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.94 +/- 0.06  99.976% * 99.2383% (1.00  10.0 10.00   5.19 127.75) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  13.53 +/- 1.32   0.014% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.83 +/- 0.51   0.010% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  26.20 +/- 1.34   0.000% *  0.0682% (0.69   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 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 127.7:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.995% * 97.2368% (1.00  10.0 10.00   5.19 127.75) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.65 +/- 0.85   0.004% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.95 +/- 1.28   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.19 +/- 0.44   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.55 +/- 0.72   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.66 +/- 1.65   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.81 +/- 1.02   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  26.66 +/- 1.03   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  32.57 +/- 1.62   0.000% *  0.0872% (0.90   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 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 127.7:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.89 +/- 0.17  99.997% * 99.8559% (1.00  10.0 10.00   4.50 127.75) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.27 +/- 1.35   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.18 +/- 0.90   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  34.37 +/- 1.30   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  32.85 +/- 1.25   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 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 127.7:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.62 +/- 0.19  99.984% * 99.6757% (1.00  10.0 10.00   3.93 127.75) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.97 +/- 1.15   0.014% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.30 +/- 1.23   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.23 +/- 2.04   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  26.34 +/- 2.56   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  27.42 +/- 1.13   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  27.77 +/- 1.45   0.000% *  0.0277% (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 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.7:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.79 +/- 0.09  99.979% * 98.4268% (1.00  10.0 10.00   5.00 127.75) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  12.74 +/- 1.45   0.016% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.47 +/- 0.51   0.005% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  25.98 +/- 1.10   0.000% *  0.0676% (0.69   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 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 127.7:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.19 127.75) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.73 +/- 1.56   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.48 +/- 0.76   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.91 +/- 0.97   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.59 +/- 0.63   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.61 +/- 1.48   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.7:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.82 +/- 0.15  99.998% * 99.8559% (1.00  10.0 10.00   4.44 127.75) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  17.90 +/- 1.39   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.20 +/- 0.79   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  34.41 +/- 1.34   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  32.91 +/- 1.27   0.000% *  0.0278% (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 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.7:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.41 +/- 0.17  99.987% * 99.2075% (1.00  10.0 10.00   3.87 127.75) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.68 +/- 1.27   0.012% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.13 +/- 1.30   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  27.32 +/- 1.35   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  25.85 +/- 1.75   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.93 +/- 2.61   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  27.85 +/- 1.51   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.7:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.13 +/- 0.18  99.996% * 99.2383% (1.00  10.0 10.00   4.31 127.75) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  12.70 +/- 1.47   0.003% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  16.01 +/- 0.47   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  27.07 +/- 1.23   0.000% *  0.0682% (0.69   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 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 127.7:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.89 +/- 0.17  99.995% * 99.7000% (1.00  10.0 10.00   4.50 127.75) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  18.98 +/- 1.47   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  17.88 +/- 1.20   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.15 +/- 0.81   0.001% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.11 +/- 0.77   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  23.15 +/- 1.53   0.000% *  0.0175% (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 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.7:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.82 +/- 0.15  99.960% * 99.4104% (1.00  10.0 10.00   4.44 127.75) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  11.17 +/- 0.82   0.031% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.05 +/- 0.42   0.007% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.46 +/- 1.29   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.63 +/- 0.76   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.01 +/- 1.20   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.98 +/- 1.14   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  28.12 +/- 1.44   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.79 +/- 1.88   0.000% *  0.0892% (0.90   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 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.7:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 99.6757% (1.00  10.0 10.00   3.31 127.75) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  13.26 +/- 1.19   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.80 +/- 1.35   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.76 +/- 1.91   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.50 +/- 2.67   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  27.56 +/- 1.38   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.25 +/- 1.37   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.7:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.40 +/- 0.07  99.958% * 98.4268% (1.00  10.0 10.00   3.74 127.75) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  13.53 +/- 1.41   0.033% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.33 +/- 0.51   0.008% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  27.86 +/- 1.15   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.16 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 127.7:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.62 +/- 0.19  99.998% * 99.7000% (1.00  10.0 10.00   3.93 127.75) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.35 +/- 1.56   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.27 +/- 1.10   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.15 +/- 0.79   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.21 +/- 0.67   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.41 +/- 1.57   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.14 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.7:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.41 +/- 0.17  99.988% * 98.6730% (1.00  10.0 10.00   3.87 127.75) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.86 +/- 0.80   0.009% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  14.59 +/- 0.42   0.002% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.89 +/- 1.25   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.13 +/- 1.10   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  22.03 +/- 0.73   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.87 +/- 1.12   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.93 +/- 1.61   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  34.01 +/- 1.75   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.7:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.75) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  18.97 +/- 1.55   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  23.86 +/- 0.90   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  36.25 +/- 1.31   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.77 +/- 1.24   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 = 3.17, residual support = 35.6:
    * O T HB    THR   26 - HA    THR   26   2.92 +/- 0.10  99.999% * 99.8279% (1.00  10.0 10.00   3.17  35.62) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  22.33 +/- 1.06   0.001% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.51 +/- 1.05   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 0.52 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 35.6:
    * O T QG2   THR   26 - HA    THR   26   2.82 +/- 0.24  99.977% * 99.3101% (1.00  10.0 10.00   3.17  35.62) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.05 +/- 0.98   0.019% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  18.49 +/- 0.54   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  19.32 +/- 2.03   0.001% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  22.33 +/- 1.13   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.85 +/- 1.97   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  22.04 +/- 0.97   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.27 +/- 1.54   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.53 +/- 0.89   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  28.13 +/- 1.25   0.000% *  0.0134% (0.14   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 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 35.6:
    * O T HA    THR   26 - HB    THR   26   2.92 +/- 0.10  99.655% * 99.6617% (1.00  10.0 10.00   3.17  35.62) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.95 +/- 0.17   0.258% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.74 +/- 0.45   0.077% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  14.03 +/- 0.59   0.009% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  19.54 +/- 2.45   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  23.62 +/- 1.40   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  29.10 +/- 0.96   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.65 +/- 0.76   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.47 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.981% * 99.4369% (1.00  10.0 10.00   3.00  35.62) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  10.26 +/- 1.25   0.018% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  18.02 +/- 2.16   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  21.60 +/- 1.22   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  19.27 +/- 0.58   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.23 +/- 0.84   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  26.77 +/- 1.81   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.98 +/- 0.80   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.28 +/- 1.46   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  27.12 +/- 1.43   0.000% *  0.0135% (0.14   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 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 35.6:
    * O T HA    THR   26 - QG2   THR   26   2.82 +/- 0.24  98.189% * 98.6211% (1.00  10.0 10.00   3.17  35.62) =  99.999%  kept
          HA    ASN   28 - QG2   THR   26   6.37 +/- 0.22   0.862% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - QG2   THR   26   6.40 +/- 0.42   0.884% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26  10.13 +/- 0.57   0.055% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.22 +/- 2.00   0.006% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.22 +/- 0.82   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.32 +/- 0.62   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  19.10 +/- 1.19   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.09 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.6:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01  99.999% * 99.1149% (1.00  10.0 10.00   3.00  35.62) = 100.000%  kept
          HA    ASP-  62 - QG2   THR   26  16.17 +/- 0.87   0.001% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QG2   THR   26  23.79 +/- 0.89   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.0:
    * O T HB2   TRP   27 - HA    TRP   27   2.93 +/- 0.07  99.975% * 99.8554% (1.00  10.0 10.00   4.44 100.04) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.07 +/- 1.03   0.024% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  21.36 +/- 0.81   0.001% *  0.0999% (1.00   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 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.0:
    * O T HB3   TRP   27 - HA    TRP   27   2.26 +/- 0.05  99.996% * 99.7166% (1.00  10.0 10.00   4.44 100.04) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  16.39 +/- 0.72   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.61 +/- 0.98   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.10 +/- 1.69   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  16.44 +/- 0.68   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.97 +/- 0.63   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.0:
    * O T HA    TRP   27 - HB2   TRP   27   2.93 +/- 0.07  99.997% * 99.7755% (1.00  10.0 10.00   4.44 100.04) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  19.26 +/- 0.95   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.58 +/- 0.90   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  24.10 +/- 1.30   0.000% *  0.0525% (0.53   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 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 = 100.0:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 100.04) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  17.29 +/- 0.94   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.15 +/- 1.87   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  15.92 +/- 0.88   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  18.23 +/- 0.75   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.81 +/- 0.77   0.000% *  0.0222% (0.22   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 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 100.0:
    * O T HA    TRP   27 - HB3   TRP   27   2.26 +/- 0.05  99.999% * 99.7755% (1.00  10.0 10.00   4.44 100.04) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  18.73 +/- 0.95   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.55 +/- 0.84   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  23.14 +/- 1.30   0.000% *  0.0525% (0.53   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 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 100.0:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.996% * 99.8554% (1.00  10.0 10.00   4.97 100.04) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.98 +/- 1.01   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  19.72 +/- 0.79   0.000% *  0.0999% (1.00   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 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 = 4.45, residual support = 94.4:
    * O T HB2   ASN   28 - HA    ASN   28   3.05 +/- 0.01  99.613% * 99.2152% (1.00  10.0 10.00   4.45  94.44) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28  10.14 +/- 1.23   0.104% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   28   9.37 +/- 1.44   0.182% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  10.21 +/- 0.95   0.084% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.73 +/- 0.83   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  19.16 +/- 1.76   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.53 +/- 1.05   0.003% *  0.0522% (0.53   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 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.4:
    * O T HB3   ASN   28 - HA    ASN   28   2.44 +/- 0.05  99.781% * 99.8456% (1.00  10.0 10.00   4.20  94.44) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.87 +/- 0.37   0.219% *  0.0922% (0.92   1.0  1.00   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  20.78 +/- 2.01   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.17 +/- 1.76   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 94.4:
    * O T HA    ASN   28 - HB2   ASN   28   3.05 +/- 0.01  92.529% * 99.0365% (1.00  10.0 10.00   4.45  94.44) =  99.997%  kept
          HA    THR   26 - HB2   ASN   28   5.01 +/- 0.25   4.989% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   6.06 +/- 0.47   1.707% *  0.0291% (0.29   1.0  1.00   0.02  18.74) =   0.001%
        T HA    ASN   28 - HB2   ASN   35  10.14 +/- 1.23   0.095% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   35   8.38 +/- 1.54   0.621% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.12 +/- 0.33   0.024% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.21 +/- 2.57   0.012% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.46 +/- 0.91   0.014% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.98 +/- 0.65   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  26.09 +/- 0.98   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.69 +/- 1.33   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  28.91 +/- 1.47   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  26.20 +/- 1.31   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.47 +/- 2.45   0.000% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  30.73 +/- 1.74   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.82 +/- 1.50   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  23.43 +/- 1.72   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  33.12 +/- 1.67   0.000% *  0.0199% (0.20   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 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 94.4:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.981% * 99.4888% (1.00  10.0 10.00   5.39  94.44) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.71 +/- 0.30   0.014% *  0.0918% (0.92   1.0  1.00   0.02   8.50) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35  10.65 +/- 1.12   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.36 +/- 1.03   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.41 +/- 2.00   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.12 +/- 2.21   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.94 +/- 1.66   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.93 +/- 2.06   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 94.4:
    * O T HA    ASN   28 - HB3   ASN   28   2.44 +/- 0.05  99.711% * 99.4977% (1.00  10.0 10.00   4.20  94.44) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.58 +/- 0.21   0.272% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.78 +/- 0.31   0.008% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.92 +/- 2.58   0.007% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.01 +/- 0.73   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.51 +/- 1.16   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  27.89 +/- 1.52   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  28.96 +/- 1.45   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  30.25 +/- 1.88   0.000% *  0.0523% (0.53   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 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 94.4:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.991% * 99.2152% (1.00  10.0 10.00   5.39  94.44) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28  10.65 +/- 1.12   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28  10.37 +/- 1.66   0.004% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  10.91 +/- 1.27   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.31 +/- 0.81   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.80 +/- 1.04   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  21.14 +/- 1.81   0.000% *  0.0957% (0.97   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 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 91.0:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.91 +/- 0.19  99.168% * 98.3644% (1.00  10.0 10.00   4.64  91.03) =  99.999%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.45 +/- 0.83   0.196% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    GLN   32   8.27 +/- 0.42   0.195% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  12.62 +/- 1.24   0.019% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  11.50 +/- 1.00   0.031% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33   9.60 +/- 1.80   0.186% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.08 +/- 2.00   0.049% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.70 +/- 1.61   0.033% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  14.95 +/- 2.20   0.010% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.77 +/- 1.69   0.036% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.10 +/- 1.77   0.012% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  12.13 +/- 1.31   0.024% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.64 +/- 1.65   0.004% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.38 +/- 0.69   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.25 +/- 1.75   0.018% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.16 +/- 0.78   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  19.98 +/- 1.60   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.73 +/- 1.87   0.006% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  24.17 +/- 1.26   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.62 +/- 1.05   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  28.31 +/- 1.50   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.46 +/- 0.69   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  20.64 +/- 0.85   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.72 +/- 1.38   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.56 +/- 0.76   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.37 +/- 0.72   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.85 +/- 1.08   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  21.40 +/- 1.22   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.48 +/- 1.04   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  23.45 +/- 1.41   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.60 +/- 1.16   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  29.17 +/- 1.20   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.81 +/- 1.13   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.24 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.831, support = 5.09, residual support = 90.3:
      O   HB3   GLU-  29 - HA    GLU-  29   2.67 +/- 0.20  36.124% * 44.1612% (0.80  10.0  1.00   5.16  91.03) =  80.318%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.53 +/- 0.16   6.785% * 55.1507% (1.00  10.0 10.00   4.99  91.03) =  18.840%  kept
          QB    GLU-  36 - HA    LYS+  33   2.47 +/- 0.21  56.133% *  0.2974% (0.13   1.0  1.00   0.81   0.02) =   0.841%  kept
          QB    GLU-  36 - HA    GLN   32   5.19 +/- 0.37   0.686% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.32 +/- 1.01   0.024% *  0.1513% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.30 +/- 0.58   0.040% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.63 +/- 1.01   0.081% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.76 +/- 0.29   0.060% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.95 +/- 0.44   0.026% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.89 +/- 0.30   0.026% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.05 +/- 0.42   0.013% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  14.98 +/- 0.49   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  16.01 +/- 0.96   0.001% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  24.26 +/- 1.30   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.25 +/- 0.86   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.71 +/- 0.97   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  25.87 +/- 0.99   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  28.14 +/- 1.12   0.000% *  0.0143% (0.26   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 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 91.0:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.44 +/- 0.45  99.412% * 99.0116% (1.00  10.0 10.00   4.64  91.03) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.30 +/- 1.15   0.372% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLU-  29 - HA    GLN   32   7.59 +/- 0.42   0.201% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  14.57 +/- 1.07   0.004% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  15.74 +/- 1.29   0.003% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.22 +/- 0.70   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.09 +/- 1.51   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  18.99 +/- 1.01   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.50 +/- 1.44   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.33 +/- 0.82   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.44 +/- 0.71   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.67 +/- 1.31   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.69 +/- 0.65   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  24.06 +/- 1.11   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  30.41 +/- 1.97   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.36 +/- 0.78   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.31 +/- 0.73   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.02 +/- 1.19   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.06 +/- 1.04   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  30.24 +/- 1.99   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  30.04 +/- 1.84   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.08 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 91.0:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.91 +/- 0.19  99.583% * 98.1508% (1.00  10.0 10.00   4.64  91.03) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.45 +/- 0.83   0.197% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.27 +/- 0.42   0.195% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HB2   GLU-  29  13.49 +/- 0.87   0.012% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  14.57 +/- 1.46   0.009% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  17.01 +/- 0.75   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.74 +/- 1.47   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.37 +/- 0.95   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  30.00 +/- 1.01   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.73 +/- 1.61   0.000% *  0.0274% (0.28   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 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 = 0.836, support = 4.38, residual support = 91.0:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  85.169% * 44.1051% (0.80  10.0  1.00   4.39  91.03) =  82.142%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.39 +/- 0.22  14.827% * 55.0806% (1.00  10.0 10.00   4.30  91.03) =  17.858%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.80 +/- 0.77   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  14.25 +/- 1.01   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.88 +/- 1.63   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.76 +/- 0.61   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 = 91.0:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.80 +/- 0.21  99.991% * 99.6674% (1.00  10.0 10.00   4.00  91.03) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.07 +/- 1.26   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  18.67 +/- 0.89   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.01 +/- 1.55   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.61 +/- 0.92   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  24.27 +/- 1.15   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  30.08 +/- 2.12   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 91.0:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.44 +/- 0.45  99.417% * 98.1508% (1.00  10.0 10.00   4.64  91.03) =  99.996%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.30 +/- 1.15   0.372% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.004%
        T HA    GLN   32 - HG2   GLU-  29   7.59 +/- 0.42   0.201% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   GLU-  29  15.19 +/- 1.31   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  15.43 +/- 1.29   0.002% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  18.05 +/- 1.13   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  22.04 +/- 1.13   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.51 +/- 1.34   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  31.41 +/- 1.58   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  29.35 +/- 1.48   0.000% *  0.0274% (0.28   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 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 91.0:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.80 +/- 0.21  99.968% * 99.5124% (1.00  10.0 10.00   4.00  91.03) = 100.000%  kept
          HB3   PHE   72 - HG2   GLU-  29  13.93 +/- 1.42   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG2   GLU-  29  15.07 +/- 2.49   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  14.73 +/- 1.92   0.008% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.65 +/- 0.85   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  18.40 +/- 1.66   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.63 +/- 1.80   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.23 +/- 1.06   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  25.83 +/- 1.25   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.92 +/- 1.46   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  29.21 +/- 1.79   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.38 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.09, residual support = 91.0:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.016% * 55.3193% (1.00  10.0 10.00   4.08  91.03) =  95.974%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.12   4.978% * 44.2962% (0.80  10.0 10.00   4.39  91.03) =   4.026%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.40 +/- 0.96   0.005% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  16.61 +/- 1.02   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  16.05 +/- 0.97   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.95 +/- 1.56   0.000% *  0.0523% (0.95   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 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 = 0.945, support = 4.85, residual support = 153.2:
    * O T HB2   GLN   30 - HA    GLN   30   2.81 +/- 0.17  55.023% * 53.1933% (1.00  10.0 10.00   4.92 153.17) =  58.532%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.97 +/- 0.63  44.940% * 46.1414% (0.87  10.0 10.00   4.75 153.17) =  41.468%  kept
          QB    GLU-  15 - HA    GLN   30  10.43 +/- 1.21   0.027% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  14.65 +/- 1.56   0.004% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  23.02 +/- 0.92   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.19 +/- 0.76   0.005% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  18.93 +/- 1.83   0.001% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.24 +/- 1.84   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.93 +/- 1.39   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  29.46 +/- 1.67   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  30.02 +/- 1.14   0.000% *  0.0461% (0.87   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 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.06, residual support = 149.1:
    * O T HB3   GLN   30 - HA    GLN   30   2.89 +/- 0.09  41.932% * 97.5682% (1.00  10.0 10.00   5.16 153.17) =  97.339%  kept
          QB    LYS+  33 - HA    GLN   30   2.75 +/- 0.66  58.061% *  1.9263% (0.25   1.0  1.00   1.58   0.29) =   2.661%  kept
          HB3   LYS+  38 - HA    GLN   30  13.45 +/- 0.47   0.004% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.68 +/- 0.56   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.84 +/- 1.23   0.001% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.60 +/- 2.76   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.85 +/- 1.49   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  25.62 +/- 1.59   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  25.82 +/- 1.06   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  20.37 +/- 1.27   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.00 +/- 2.00   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  29.42 +/- 1.55   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 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 153.2:
    * O T HG2   GLN   30 - HA    GLN   30   2.79 +/- 0.67  99.487% * 99.8053% (1.00  10.0 10.00   5.58 153.17) = 100.000%  kept
          HB3   ASN   28 - HA    GLN   30   7.57 +/- 0.07   0.510% *  0.0921% (0.92   1.0  1.00   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HA    GLN   30  20.67 +/- 2.46   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.72 +/- 1.50   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 153.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.81 +/- 0.17  99.849% * 99.6678% (1.00  10.0 10.00   4.92 153.17) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   9.89 +/- 0.94   0.063% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.64 +/- 0.99   0.073% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  14.22 +/- 1.57   0.008% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  15.35 +/- 1.65   0.004% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  22.18 +/- 1.02   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.58 +/- 0.89   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.88 +/- 1.55   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  23.19 +/- 1.15   0.000% *  0.0175% (0.18   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 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 = 4.11, residual support = 153.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.673% * 98.9590% (1.00  10.0 10.00   4.11 153.17) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.76 +/- 0.55   0.326% *  0.0247% (0.25   1.0  1.00   0.02   0.29) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.97 +/- 1.35   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  14.11 +/- 0.89   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  15.83 +/- 0.88   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  22.66 +/- 1.50   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  23.27 +/- 1.18   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  23.17 +/- 1.74   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  18.58 +/- 1.43   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  26.94 +/- 1.56   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  21.75 +/- 2.82   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.61 +/- 2.09   0.000% *  0.0305% (0.31   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 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 153.2:
    * O T HG2   GLN   30 - HB2   GLN   30   2.77 +/- 0.22  99.682% * 99.8053% (1.00  10.0 10.00   5.50 153.17) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.39 +/- 0.64   0.315% *  0.0921% (0.92   1.0  1.00   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  19.21 +/- 2.61   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  19.15 +/- 1.58   0.001% *  0.0340% (0.34   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 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 153.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.89 +/- 0.09  99.845% * 99.5115% (1.00  10.0 10.00   5.16 153.17) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30  10.15 +/- 1.19   0.066% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.92 +/- 0.95   0.071% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  13.89 +/- 1.32   0.010% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.58 +/- 1.20   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  23.14 +/- 1.01   0.000% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  22.08 +/- 0.94   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.40 +/- 0.77   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.73 +/- 1.49   0.000% *  0.0986% (0.99   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 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.99, support = 4.18, residual support = 153.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  91.197% * 53.1733% (1.00  10.0 10.00   4.11 153.17) =  92.276%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.65 +/- 0.23   8.801% * 46.1240% (0.87  10.0  1.00   4.98 153.17) =   7.724%  kept
          HB3   GLU- 100 - HB3   GLN   30  14.97 +/- 1.56   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  11.31 +/- 1.02   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.79 +/- 0.72   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  27.45 +/- 1.06   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  18.33 +/- 1.76   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.81 +/- 1.94   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  20.44 +/- 0.98   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  23.02 +/- 1.53   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  27.07 +/- 1.73   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 = 5.71, residual support = 153.2:
    * O T HG2   GLN   30 - HB3   GLN   30   2.65 +/- 0.30  99.710% * 99.8053% (1.00  10.0 10.00   5.71 153.17) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.12 +/- 0.52   0.288% *  0.0921% (0.92   1.0  1.00   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  19.30 +/- 2.09   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.30 +/- 1.73   0.001% *  0.0340% (0.34   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 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 153.2:
    * O T HA    GLN   30 - HG2   GLN   30   2.79 +/- 0.67  99.813% * 99.6678% (1.00  10.0 10.00   5.58 153.17) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30  10.59 +/- 0.79   0.074% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.09 +/- 0.89   0.080% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  15.06 +/- 1.43   0.014% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.05 +/- 1.39   0.014% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  22.71 +/- 1.19   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  26.59 +/- 1.63   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.07 +/- 0.82   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.61 +/- 0.93   0.001% *  0.0175% (0.18   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 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.878, support = 6.08, residual support = 153.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  93.172% * 46.1414% (0.87  10.0 10.00   6.13 153.17) =  92.214%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.77 +/- 0.22   6.824% * 53.1933% (1.00  10.0 10.00   5.50 153.17) =   7.786%  kept
          QB    GLU-  15 - HG2   GLN   30  10.40 +/- 1.03   0.003% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  11.71 +/- 0.67   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.36 +/- 1.43   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  21.71 +/- 0.73   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.29 +/- 1.83   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.61 +/- 2.02   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.90 +/- 0.95   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  28.55 +/- 1.67   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  28.02 +/- 1.32   0.000% *  0.0461% (0.87   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 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 153.2:
    * O T HB3   GLN   30 - HG2   GLN   30   2.65 +/- 0.30  92.468% * 99.4599% (1.00  10.0 10.00   5.71 153.17) =  99.998%  kept
          QB    LYS+  33 - HG2   GLN   30   4.75 +/- 0.82   7.523% *  0.0248% (0.25   1.0  1.00   0.02   0.29) =   0.002%
          HB3   LYS+  38 - HG2   GLN   30  15.25 +/- 0.53   0.003% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.35 +/- 0.62   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.62 +/- 1.32   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.90 +/- 1.19   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.51 +/- 1.07   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.12 +/- 2.81   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  24.05 +/- 1.45   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  20.28 +/- 1.23   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  22.83 +/- 2.02   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  27.41 +/- 1.74   0.000% *  0.0153% (0.15   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 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 = 230.9:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.02  99.546% * 99.2507% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.44 +/- 1.10   0.304% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.09 +/- 0.83   0.080% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  12.17 +/- 1.17   0.029% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  13.31 +/- 1.03   0.015% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.95 +/- 0.54   0.007% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.27 +/- 0.77   0.009% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.80 +/- 1.11   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  16.45 +/- 0.75   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  20.79 +/- 2.07   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  21.44 +/- 0.67   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.89 +/- 2.45   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 230.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.48 +/- 0.09  99.972% * 99.6763% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.72 +/- 0.60   0.017% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.12 +/- 0.38   0.008% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  21.67 +/- 1.70   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.86 +/- 0.98   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  17.00 +/- 1.03   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.58 +/- 1.88   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  29.43 +/- 1.61   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 230.9:
    * O T HG    LEU   31 - HA    LEU   31   3.14 +/- 0.52  74.036% * 99.6594% (0.80  10.0 10.00   5.91 230.90) =  99.986%  kept
          QG1   VAL   41 - HA    LEU   31   4.01 +/- 0.66  23.210% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.010%
          QD2   LEU   73 - HA    LEU   31   5.86 +/- 0.54   2.751% *  0.1149% (0.92   1.0  1.00   0.02   1.35) =   0.004%
          QD1   ILE   56 - HA    LEU   31  19.47 +/- 1.05   0.002% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  19.52 +/- 1.91   0.002% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.86, residual support = 230.9:
    *   T QD1   LEU   31 - HA    LEU   31   3.62 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.86 230.90) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.29 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 230.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.30 +/- 0.50  99.544% * 99.6345% (1.00 10.00   5.74 230.90) =  99.999%  kept
        T QG2   VAL   43 - HA    LEU   31   7.29 +/- 1.16   0.407% *  0.2484% (0.25 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    LEU   31   9.59 +/- 0.94   0.043% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.96 +/- 0.63   0.007% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.05 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.9:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
    Distance limit 3.52 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 = 230.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.995% * 99.6763% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   9.45 +/- 0.62   0.005% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  13.08 +/- 0.38   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  23.79 +/- 1.71   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  18.13 +/- 1.05   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  18.11 +/- 1.08   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.82 +/- 1.96   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  31.07 +/- 1.53   0.000% *  0.0564% (0.57   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 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 230.9:
    * O T HG    LEU   31 - HB2   LEU   31   2.56 +/- 0.35  98.755% * 99.6594% (0.80  10.0 10.00   5.93 230.90) =  99.999%  kept
          QD2   LEU   73 - HB2   LEU   31   7.07 +/- 0.48   0.323% *  0.1149% (0.92   1.0  1.00   0.02   1.35) =   0.000%
          QG1   VAL   41 - HB2   LEU   31   6.39 +/- 0.74   0.921% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.67 +/- 1.26   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  21.65 +/- 1.96   0.000% *  0.0705% (0.57   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 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.9:
    * O T QD1   LEU   31 - HB2   LEU   31   2.55 +/- 0.16 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.90) = 100.000%  kept
    Distance limit 3.26 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 = 230.9:
    * O T QD2   LEU   31 - HB2   LEU   31   2.83 +/- 0.42  99.508% * 99.6345% (1.00  10.0 10.00   5.76 230.90) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.14 +/- 1.30   0.316% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31   8.97 +/- 1.00   0.162% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  13.02 +/- 0.70   0.014% *  0.0447% (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 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 230.9:
    * O T HA    LEU   31 - HB3   LEU   31   2.48 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
    Distance limit 3.23 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 = 230.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.985% * 99.2507% (1.00  10.0 10.00   6.00 230.90) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.58 +/- 1.07   0.010% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.72 +/- 1.23   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.94 +/- 1.23   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.22 +/- 1.17   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  13.91 +/- 0.80   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  16.08 +/- 0.69   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  15.50 +/- 0.82   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.20 +/- 1.24   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.09 +/- 2.07   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  21.92 +/- 0.64   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.96 +/- 2.52   0.000% *  0.0984% (0.99   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 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 = 5.93, residual support = 230.9:
    * O T HG    LEU   31 - HB3   LEU   31   2.78 +/- 0.25  96.194% * 98.0242% (0.80  10.0 10.00   5.93 230.90) =  99.994%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.21 +/- 0.60   0.416% *  1.1301% (0.92   1.0 10.00   0.02   1.35) =   0.005%
          QG1   VAL   41 - HB3   LEU   31   5.41 +/- 0.81   3.388% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 121 - HB3   LEU   31  20.24 +/- 1.96   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  20.10 +/- 1.23   0.001% *  0.1221% (1.00   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 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 230.9:
    * O T QD1   LEU   31 - HB3   LEU   31   2.23 +/- 0.22 100.000% *100.0000% (1.00  10.0 10.00   4.87 230.90) = 100.000%  kept
    Distance limit 3.16 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 = 230.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.89 +/- 0.23  99.412% * 99.6345% (1.00  10.0 10.00   5.76 230.90) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.77 +/- 1.12   0.438% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31   9.18 +/- 1.08   0.133% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.59 +/- 0.60   0.017% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.91, residual support = 230.9:
    * O T HA    LEU   31 - HG    LEU   31   3.14 +/- 0.52 100.000% *100.0000% (0.80  10.0 10.00   5.91 230.90) = 100.000%  kept
    Distance limit 3.90 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 = 5.93, residual support = 230.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.56 +/- 0.35  99.271% * 99.2507% (0.80  10.0 10.00   5.93 230.90) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.57 +/- 2.04   0.663% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  11.02 +/- 1.31   0.019% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  14.07 +/- 1.98   0.012% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.72 +/- 0.96   0.011% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  12.24 +/- 0.72   0.011% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  14.45 +/- 1.03   0.005% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.92 +/- 1.51   0.002% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  14.50 +/- 0.75   0.004% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.12 +/- 2.43   0.001% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  20.30 +/- 0.90   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.94 +/- 2.77   0.000% *  0.0984% (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 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.93, residual support = 230.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.78 +/- 0.25  99.816% * 99.4283% (0.80  10.0 10.00   5.93 230.90) = 100.000%  kept
          QG1   VAL   24 - HG    LEU   31   8.62 +/- 0.84   0.160% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG    LEU   31  12.14 +/- 0.51   0.017% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  21.37 +/- 2.50   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.83 +/- 1.81   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.49 +/- 1.49   0.002% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.37 +/- 1.32   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  28.96 +/- 1.80   0.000% *  0.0563% (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 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 = 4.9, residual support = 230.9:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.02 100.000% *100.0000% (0.80  10.0 10.00   4.90 230.90) = 100.000%  kept
    Distance limit 3.20 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 = 5.8, residual support = 230.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.11 +/- 0.02  99.591% * 99.6345% (0.80  10.0 10.00   5.80 230.90) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   6.44 +/- 1.56   0.337% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   7.56 +/- 1.01   0.067% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  11.38 +/- 0.83   0.005% *  0.0447% (0.36   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 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.86, residual support = 230.9:
    *   T HA    LEU   31 - QD1   LEU   31   3.62 +/- 0.13 100.000% *100.0000% (1.00 10.00   4.86 230.90) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.55 +/- 0.16  99.056% * 99.2507% (1.00  10.0 10.00   4.87 230.90) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.57 +/- 1.22   0.756% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD1   LEU   31   9.00 +/- 1.07   0.081% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.83 +/- 1.08   0.022% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31   9.70 +/- 0.70   0.039% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  11.65 +/- 1.09   0.014% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  12.20 +/- 0.81   0.010% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  11.12 +/- 0.61   0.016% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.38 +/- 1.21   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.71 +/- 1.70   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  16.62 +/- 0.60   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.96 +/- 2.05   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 230.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.23 +/- 0.22  99.847% * 99.6763% (1.00  10.0 10.00   4.87 230.90) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   7.16 +/- 0.65   0.136% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  11.09 +/- 0.36   0.010% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  13.37 +/- 0.92   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  18.25 +/- 1.49   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.29 +/- 0.98   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.61 +/- 1.63   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  23.95 +/- 1.28   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.9, residual support = 230.9:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.02  98.787% * 99.6594% (0.80  10.0 10.00   4.90 230.90) =  99.999%  kept
          QD2   LEU   73 - QD1   LEU   31   5.56 +/- 0.79   0.473% *  0.1149% (0.92   1.0  1.00   0.02   1.35) =   0.001%
          QG1   VAL   41 - QD1   LEU   31   5.26 +/- 0.84   0.739% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  15.59 +/- 1.17   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.54 +/- 1.60   0.001% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 230.9:
    * O T QD2   LEU   31 - QD1   LEU   31   2.07 +/- 0.06  98.824% * 99.6345% (1.00  10.0 10.00   4.62 230.90) =  99.998%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.21 +/- 1.10   0.776% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.002%
          QG2   VAL   83 - QD1   LEU   31   5.73 +/- 0.93   0.382% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   8.77 +/- 0.54   0.018% *  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 = 230.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.30 +/- 0.50  99.593% * 99.9324% (1.00 10.00   5.74 230.90) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.29 +/- 1.16   0.407% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 230.9:
    * O T HB2   LEU   31 - QD2   LEU   31   2.83 +/- 0.42  91.836% * 98.7715% (1.00  10.0 10.00   5.76 230.90) =  99.998%  kept
          HG    LEU   98 - QD2   LEU   31   6.77 +/- 0.84   0.897% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - QD2   LEU   31   9.97 +/- 0.69   0.061% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.14 +/- 1.30   0.288% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31   8.71 +/- 0.94   0.163% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   5.53 +/- 0.81   3.583% *  0.0035% (0.04   1.0  1.00   0.02   0.43) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   6.06 +/- 0.47   1.336% *  0.0054% (0.05   1.0  1.00   0.02  15.19) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.47 +/- 1.18   0.073% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   7.19 +/- 1.13   0.710% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  11.31 +/- 1.00   0.038% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  11.08 +/- 0.58   0.037% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   7.22 +/- 0.77   0.528% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.14 +/- 1.17   0.015% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   8.66 +/- 1.14   0.203% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  12.16 +/- 0.57   0.020% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.69 +/- 1.11   0.109% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.67 +/- 0.78   0.025% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.74 +/- 1.46   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43  10.84 +/- 1.04   0.051% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  16.27 +/- 0.53   0.003% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  21.16 +/- 1.86   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  13.76 +/- 0.90   0.011% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  16.13 +/- 2.48   0.006% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  15.81 +/- 1.18   0.004% *  0.0043% (0.04   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 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 230.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.89 +/- 0.23  97.362% * 99.5873% (1.00  10.0 10.00   5.76 230.90) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.14 +/- 0.98   1.034% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.77 +/- 1.12   0.426% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.26 +/- 0.28   0.102% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.85 +/- 1.27   0.543% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.99 +/- 0.98   0.176% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  17.34 +/- 1.61   0.002% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  13.24 +/- 0.77   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  13.17 +/- 0.84   0.012% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.81 +/- 1.17   0.170% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.17 +/- 1.03   0.129% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.70 +/- 1.30   0.016% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.19 +/- 1.62   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  23.43 +/- 1.22   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  14.00 +/- 0.99   0.009% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  18.15 +/- 1.47   0.002% *  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 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.8, residual support = 230.9:
    * O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  73.398% * 99.5693% (0.80  10.0 10.00   5.80 230.90) =  99.990%  kept
          QD2   LEU   73 - QD2   LEU   31   3.84 +/- 0.67   3.693% *  0.1148% (0.92   1.0  1.00   0.02   1.35) =   0.006%
          QG1   VAL   41 - QD2   LEU   31   4.19 +/- 0.92   4.666% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QG2   VAL   43   3.76 +/- 1.53  17.881% *  0.0078% (0.06   1.0  1.00   0.02   1.30) =   0.002%
        T HG    LEU   31 - QG2   VAL   43   6.44 +/- 1.56   0.176% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   5.91 +/- 0.73   0.176% *  0.0021% (0.02   1.0  1.00   0.02   2.00) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.09 +/- 0.99   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.58 +/- 1.10   0.007% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.22 +/- 1.58   0.000% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  12.97 +/- 1.12   0.002% *  0.0048% (0.04   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 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 230.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.07 +/- 0.06  99.221% * 99.9324% (1.00  10.0 10.00   4.62 230.90) =  99.999%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.21 +/- 1.10   0.779% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.02, residual support = 43.3:
    * O T QB    GLN   32 - HA    GLN   32   2.44 +/- 0.09  77.142% * 48.6885% (0.69  10.0 10.00   2.96  44.94) =  95.059%  kept
        T QB    GLN   32 - HA    LYS+  33   4.09 +/- 0.18   3.776% * 50.1038% (0.71   1.0 10.00   4.39  12.61) =   4.789%  kept
        T QB    GLN   32 - HA    GLU-  29   3.18 +/- 0.36  19.044% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.153%
          HB    VAL   24 - HA    GLU-  29  10.70 +/- 0.37   0.011% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  12.20 +/- 1.83   0.009% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  12.44 +/- 1.58   0.006% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.76 +/- 0.40   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.05 +/- 1.95   0.005% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.60 +/- 0.40   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  17.02 +/- 1.65   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  18.89 +/- 1.15   0.000% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  21.23 +/- 1.01   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.19 +/- 1.76   0.001% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.43 +/- 2.15   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  23.10 +/- 1.33   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.12 +/- 0.77   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.61 +/- 0.68   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.90 +/- 2.11   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.52 +/- 2.08   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.17 +/- 0.79   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.14 +/- 2.18   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.688, support = 3.02, residual support = 43.4:
    * O T QG    GLN   32 - HA    GLN   32   2.32 +/- 0.15  93.962% * 48.7402% (0.69  10.0 10.00   2.96  44.94) =  95.336%  kept
        T QG    GLN   32 - HA    LYS+  33   4.35 +/- 0.64   4.457% * 50.1570% (0.71   1.0 10.00   4.39  12.61) =   4.653%  kept
        T QG    GLN   32 - HA    GLU-  29   4.94 +/- 0.58   1.563% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.010%
        T HB2   GLU- 100 - HA    GLN   32  12.25 +/- 1.76   0.010% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.07 +/- 1.54   0.004% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.14 +/- 1.40   0.002% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  17.29 +/- 1.60   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.67 +/- 1.31   0.001% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.11 +/- 1.39   0.001% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.02 +/- 1.19   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  24.06 +/- 1.04   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.44 +/- 0.71   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.22 +/- 0.70   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.69 +/- 0.65   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  31.23 +/- 1.03   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  24.06 +/- 1.11   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  32.20 +/- 1.07   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  30.04 +/- 1.84   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  30.24 +/- 1.99   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  31.00 +/- 1.24   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  30.41 +/- 1.97   0.000% *  0.0071% (0.10   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 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.689, support = 3.02, residual support = 43.1:
    * O T HA    GLN   32 - QB    GLN   32   2.44 +/- 0.09  77.166% * 46.7473% (0.69  10.0 10.00   2.96  44.94) =  94.546%  kept
        T HA    LYS+  33 - QB    GLN   32   4.09 +/- 0.18   3.778% * 52.0093% (0.76   1.0 10.00   4.39  12.61) =   5.149%  kept
        T HA    GLU-  29 - QB    GLN   32   3.18 +/- 0.36  19.049% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.305%
          HA    VAL   18 - QB    GLN   32  13.41 +/- 0.59   0.003% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  16.08 +/- 1.28   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  14.07 +/- 0.69   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  27.32 +/- 1.14   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.18 +/- 0.78   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.80 +/- 1.16   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  27.06 +/- 1.00   0.000% *  0.0305% (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 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 = 44.9:
    * O T QG    GLN   32 - QB    GLN   32   2.13 +/- 0.01  99.996% * 99.7611% (1.00  10.0 10.00   3.00  44.94) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.99 +/- 1.23   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.17 +/- 1.53   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.76 +/- 1.02   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.60 +/- 0.71   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  27.68 +/- 1.69   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.90 +/- 0.98   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.691, support = 3.03, residual support = 43.3:
    * O T HA    GLN   32 - QG    GLN   32   2.32 +/- 0.15  93.975% * 46.7583% (0.69  10.0 10.00   2.96  44.94) =  94.967%  kept
        T HA    LYS+  33 - QG    GLN   32   4.35 +/- 0.64   4.458% * 52.0216% (0.76   1.0 10.00   4.39  12.61) =   5.012%  kept
        T HA    GLU-  29 - QG    GLN   32   4.94 +/- 0.58   1.563% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.021%
          HA    VAL   18 - QG    GLN   32  14.64 +/- 0.85   0.002% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.60 +/- 0.74   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  17.58 +/- 1.68   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.89 +/- 1.10   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  21.23 +/- 0.93   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.43 +/- 1.11   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.77 +/- 1.04   0.000% *  0.0331% (0.49   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 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.9:
    * O T QB    GLN   32 - QG    GLN   32   2.13 +/- 0.01  99.994% * 99.6746% (1.00  10.0 10.00   3.00  44.94) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  12.52 +/- 1.73   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  13.83 +/- 0.81   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.64 +/- 2.09   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  20.47 +/- 0.94   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.22 +/- 0.67   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.28 +/- 1.79   0.000% *  0.0197% (0.20   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 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 = 6.23, residual support = 152.4:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.04  98.553% * 96.5845% (1.00  10.0 10.00   6.23 152.35) =  99.997%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.62 +/- 0.92   0.535% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - HA    GLN   32   5.28 +/- 0.17   0.503% *  0.2484% (0.26   1.0 10.00   0.02  12.61) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.93 +/- 0.42   0.274% *  0.0067% (0.07   1.0  1.00   0.02  19.27) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.65 +/- 0.57   0.062% *  0.0241% (0.25   1.0  1.00   0.02   0.29) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.99 +/- 0.25   0.011% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.78 +/- 0.21   0.050% *  0.0062% (0.06   1.0  1.00   0.02   1.21) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.25 +/- 0.73   0.000% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  21.89 +/- 0.62   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.72 +/- 0.33   0.007% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.12 +/- 0.91   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.37 +/- 1.17   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.72 +/- 1.55   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  19.70 +/- 1.24   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.64 +/- 0.99   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.46 +/- 1.17   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.87 +/- 1.19   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.69 +/- 0.42   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  18.76 +/- 1.59   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.33 +/- 1.18   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.47 +/- 1.46   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.65 +/- 1.30   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  28.01 +/- 1.78   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  32.72 +/- 1.60   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.98 +/- 1.37   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  23.50 +/- 1.02   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  24.24 +/- 1.97   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  29.03 +/- 1.28   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  25.67 +/- 1.77   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.50 +/- 1.52   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  27.29 +/- 1.88   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  33.56 +/- 1.28   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  31.58 +/- 1.62   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  28.39 +/- 1.33   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  28.67 +/- 1.20   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  31.86 +/- 1.52   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  29.59 +/- 0.92   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  33.32 +/- 1.17   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  28.29 +/- 1.87   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  27.20 +/- 1.13   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  30.13 +/- 1.82   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.89 +/- 1.03   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.995, support = 5.99, residual support = 151.5:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.09 +/- 0.23  94.693% * 76.3092% (1.00  10.0 10.00   6.00 152.35) =  99.363%  kept
        T HG3   LYS+  33 - HA    GLN   32   6.38 +/- 0.78   2.334% * 19.6245% (0.26   1.0 10.00   4.20  12.61) =   0.630%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.65 +/- 1.70   2.381% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+ 102 - HA    GLN   32  13.88 +/- 2.77   0.032% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  16.55 +/- 2.27   0.006% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  11.27 +/- 1.24   0.058% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29   9.96 +/- 1.05   0.120% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.50 +/- 0.78   0.039% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  13.90 +/- 2.49   0.026% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.93 +/- 1.00   0.108% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  18.26 +/- 2.67   0.004% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.36 +/- 1.42   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.02 +/- 0.93   0.035% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.27 +/- 0.99   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  15.07 +/- 0.48   0.007% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.34 +/- 1.28   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.83 +/- 1.09   0.021% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.71 +/- 0.93   0.014% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.49 +/- 1.25   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  22.42 +/- 1.62   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  15.34 +/- 0.58   0.007% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  23.16 +/- 1.29   0.001% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.06 +/- 1.04   0.033% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.47 +/- 0.80   0.005% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.01 +/- 2.40   0.005% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  16.77 +/- 0.69   0.004% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.54 +/- 2.42   0.005% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.84 +/- 0.93   0.009% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.77 +/- 0.85   0.014% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.44 +/- 1.19   0.011% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.09 +/- 0.66   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.51 +/- 0.51   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.29 +/- 0.67   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.35 +/- 0.71   0.003% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.28 +/- 0.78   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.82 +/- 0.97   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.23 +/- 2.83   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  26.93 +/- 0.70   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  33.91 +/- 1.08   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.91 +/- 2.88   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.41 +/- 2.89   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  25.63 +/- 0.64   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  26.01 +/- 0.67   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  33.33 +/- 1.17   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  33.90 +/- 1.13   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 152.3:
    *   T QD    LYS+  33 - HA    LYS+  33   3.72 +/- 0.41  93.888% * 97.7340% (1.00 10.00   4.79 152.35) =  99.982%  kept
        T QD    LYS+  33 - HA    GLU-  29   7.21 +/- 1.17   4.312% *  0.2729% (0.28 10.00   0.02   0.02) =   0.013%
        T QD    LYS+  33 - HA    GLN   32   7.26 +/- 0.59   1.762% *  0.2513% (0.26 10.00   0.02  12.61) =   0.005%
          HD2   LYS+  74 - HA    LYS+  33  17.80 +/- 1.19   0.010% *  0.0553% (0.57  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.92 +/- 1.07   0.013% *  0.0154% (0.16  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.86 +/- 2.13   0.000% *  0.8765% (0.90 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.69 +/- 0.64   0.002% *  0.0848% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.78 +/- 1.01   0.007% *  0.0142% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  27.16 +/- 1.74   0.001% *  0.0977% (1.00  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.36 +/- 2.34   0.000% *  0.2254% (0.23 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  33.42 +/- 2.07   0.000% *  0.2447% (0.25 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.70 +/- 0.92   0.002% *  0.0237% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.74 +/- 0.91   0.002% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  28.23 +/- 1.82   0.001% *  0.0251% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.42 +/- 1.79   0.000% *  0.0273% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  34.45 +/- 1.22   0.000% *  0.0193% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  32.68 +/- 1.53   0.000% *  0.0054% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  34.17 +/- 1.21   0.000% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.21 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.825, support = 5.03, residual support = 123.3:
    *   T QE    LYS+  33 - HA    LYS+  33   3.69 +/- 0.95  34.687% * 57.8906% (1.00 10.00   5.44 152.35) =  77.812%  kept
        T HB2   ASN   28 - HA    GLU-  29   3.83 +/- 0.12  20.713% * 15.8423% (0.27 10.00   4.70  33.08) =  12.716%  kept
        T HB2   ASN   35 - HA    GLN   32   3.66 +/- 0.89  40.487% *  5.0783% (0.09 10.00   2.16   6.30) =   7.967%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.60 +/- 0.27   2.029% * 18.9817% (0.34 10.00   1.92   1.15) =   1.492%  kept
        T QE    LYS+  33 - HA    GLU-  29   7.21 +/- 2.02   1.039% *  0.1616% (0.28 10.00   0.02   0.02) =   0.007%
        T QE    LYS+  33 - HA    GLN   32   6.94 +/- 1.42   0.567% *  0.1489% (0.26 10.00   0.02  12.61) =   0.003%
        T HB2   ASN   28 - HA    GLN   32   8.05 +/- 0.60   0.297% *  0.1459% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.38 +/- 0.58   0.057% *  0.5674% (0.98 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    GLU-  29   9.17 +/- 0.81   0.096% *  0.0551% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  19.92 +/- 1.76   0.001% *  0.5192% (0.90 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  20.61 +/- 2.06   0.001% *  0.1449% (0.25 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.14 +/- 0.98   0.001% *  0.1289% (0.22 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.72 +/- 0.82   0.003% *  0.0360% (0.06 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  21.67 +/- 1.66   0.001% *  0.1335% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  14.88 +/- 1.01   0.006% *  0.0111% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  19.01 +/- 0.90   0.001% *  0.0398% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  15.92 +/- 1.09   0.004% *  0.0102% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.82 +/- 0.88   0.001% *  0.0331% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  16.42 +/- 1.37   0.004% *  0.0089% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  24.64 +/- 1.13   0.000% *  0.0374% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.68 +/- 1.07   0.001% *  0.0105% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  18.57 +/- 1.23   0.002% *  0.0023% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.03 +/- 1.07   0.000% *  0.0096% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  21.14 +/- 1.01   0.001% *  0.0025% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 6.23, residual support = 152.3:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.04  98.620% * 98.1731% (1.00  10.0 10.00   6.23 152.35) =  99.993%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.62 +/- 0.92   0.536% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   32 - QB    LYS+  33   5.28 +/- 0.17   0.504% *  0.2730% (0.28   1.0 10.00   0.02  12.61) =   0.001%
          HB2   SER   37 - QB    LYS+  33   6.35 +/- 0.91   0.317% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33   9.72 +/- 0.77   0.015% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33  10.79 +/- 0.87   0.008% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  17.54 +/- 1.11   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.31 +/- 1.35   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.78 +/- 1.12   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.79 +/- 0.96   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.55 +/- 0.51   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 152.4:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.50 +/- 0.06  99.778% * 96.3761% (1.00  10.0 10.00   6.23 152.35) = 100.000%  kept
          HB3   LEU   73 - QB    LYS+  33   8.05 +/- 1.17   0.141% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QB    LYS+  33  10.22 +/- 0.82   0.025% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.48 +/- 1.92   0.003% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.59 +/- 2.00   0.022% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.33 +/- 1.27   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  12.46 +/- 0.53   0.007% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.55 +/- 0.93   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.66 +/- 0.76   0.007% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.83 +/- 0.92   0.010% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  14.69 +/- 0.63   0.003% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  15.89 +/- 0.62   0.002% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.14 +/- 2.51   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  22.67 +/- 0.73   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  29.12 +/- 1.05   0.000% *  0.0864% (0.90   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 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 152.4:
    * O T QD    LYS+  33 - QB    LYS+  33   2.20 +/- 0.18  99.998% * 97.3258% (1.00  10.0 10.00   5.10 152.35) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  13.94 +/- 1.07   0.002% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  23.57 +/- 1.44   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.72 +/- 0.59   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  29.37 +/- 1.82   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  29.03 +/- 1.18   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 152.4:
    *   T QE    LYS+  33 - QB    LYS+  33   2.72 +/- 0.65  98.716% * 98.6189% (1.00 10.00   5.67 152.35) =  99.999%  kept
          HB2   ASN   35 - QB    LYS+  33   6.65 +/- 0.48   1.065% *  0.0336% (0.34  1.00   0.02   1.15) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   8.41 +/- 0.71   0.195% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.14 +/- 1.53   0.004% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  16.04 +/- 0.95   0.004% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.09 +/- 0.68   0.004% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  14.25 +/- 1.28   0.010% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  20.10 +/- 1.08   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 = 1.0, support = 6.0, residual support = 152.3:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.09 +/- 0.23  87.642% * 93.2464% (1.00  10.0 10.00   6.00 152.35) =  99.964%  kept
        T HA    GLU-  29 - HG3   LYS+  33   7.65 +/- 1.70   2.356% *  0.8999% (0.97   1.0 10.00   0.02   0.02) =   0.026%
        T HA    GLN   32 - HG3   LYS+  33   6.38 +/- 0.78   2.272% *  0.2593% (0.28   1.0 10.00   0.02  12.61) =   0.007%
          HB2   SER   37 - HG3   LYS+  33   5.78 +/- 1.74   7.191% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - HG3   LYS+  65   8.93 +/- 1.37   0.238% *  0.0762% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  10.48 +/- 1.25   0.100% *  0.0882% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  10.89 +/- 1.42   0.062% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  13.88 +/- 2.77   0.023% *  0.1288% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.55 +/- 2.27   0.005% *  0.4632% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.67 +/- 0.98   0.022% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  18.26 +/- 2.67   0.003% *  0.4470% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.36 +/- 1.42   0.001% *  0.8052% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.72 +/- 1.31   0.009% *  0.0698% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.18 +/- 0.87   0.011% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.30 +/- 0.98   0.010% *  0.0514% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  22.42 +/- 1.62   0.001% *  0.7771% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.27 +/- 0.99   0.001% *  0.5925% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.49 +/- 1.25   0.001% *  0.5718% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  14.94 +/- 1.07   0.008% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.34 +/- 1.28   0.002% *  0.1647% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  16.43 +/- 2.16   0.005% *  0.0424% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.35 +/- 1.43   0.003% *  0.0561% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.66 +/- 1.67   0.010% *  0.0183% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.52 +/- 1.32   0.002% *  0.0914% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.16 +/- 1.29   0.001% *  0.2239% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.55 +/- 1.71   0.001% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  19.64 +/- 1.19   0.001% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.66 +/- 1.56   0.001% *  0.0531% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.07 +/- 1.63   0.005% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  23.27 +/- 1.47   0.001% *  0.0722% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  18.22 +/- 1.75   0.003% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.26 +/- 1.31   0.001% *  0.0312% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.42 +/- 1.31   0.002% *  0.0179% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.13 +/- 2.57   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.50 +/- 2.40   0.001% *  0.0415% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.40 +/- 1.31   0.001% *  0.0402% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.98 +/- 1.39   0.000% *  0.0809% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.87 +/- 1.20   0.000% *  0.0491% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.44 +/- 0.92   0.001% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.44 +/- 1.26   0.000% *  0.0288% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.42 +/- 1.71   0.000% *  0.0249% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.05 +/- 1.41   0.000% *  0.0244% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.52 +/- 1.56   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.18 +/- 1.39   0.000% *  0.0071% (0.08   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 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.832, support = 6.11, residual support = 145.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.50 +/- 0.06  44.345% * 60.0127% (1.00  10.0 10.00   6.23 152.35) =  57.852%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.42 +/- 0.07  53.744% * 36.0742% (0.60  10.0 10.00   5.95 136.21) =  42.146%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.15 +/- 0.28   0.612% *  0.0374% (0.62   1.0  1.00   0.02  21.49) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.78 +/- 0.87   0.423% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.06 +/- 0.96   0.488% *  0.0282% (0.47   1.0  1.00   0.02  22.41) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.45 +/- 1.26   0.335% *  0.0150% (0.25   1.0  1.00   0.02   0.29) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.38 +/- 1.03   0.006% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.48 +/- 1.92   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.15 +/- 1.17   0.012% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  11.44 +/- 1.12   0.006% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  16.95 +/- 1.08   0.001% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.33 +/- 1.27   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.61 +/- 1.16   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.41 +/- 1.14   0.004% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.55 +/- 0.93   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  11.58 +/- 1.81   0.007% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.05 +/- 1.87   0.002% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  17.23 +/- 2.80   0.001% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  17.00 +/- 2.00   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  16.11 +/- 1.62   0.001% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.09 +/- 1.66   0.001% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  17.64 +/- 1.73   0.000% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.34 +/- 1.61   0.002% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.40 +/- 1.07   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  17.95 +/- 1.16   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.31 +/- 1.18   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  20.12 +/- 1.26   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  19.80 +/- 1.69   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  20.06 +/- 2.89   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.31 +/- 1.38   0.002% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  16.77 +/- 1.68   0.001% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.04 +/- 1.07   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  16.94 +/- 2.26   0.001% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.00 +/- 1.32   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  22.95 +/- 2.58   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.16 +/- 0.69   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  22.26 +/- 0.83   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.85 +/- 1.51   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.77 +/- 1.46   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.38 +/- 1.37   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.71 +/- 1.53   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.84 +/- 1.77   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  23.65 +/- 2.32   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  26.87 +/- 2.12   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.64 +/- 0.98   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  20.19 +/- 1.69   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.99 +/- 1.57   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.26 +/- 2.30   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.24 +/- 1.63   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  31.51 +/- 1.29   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.26 +/- 2.09   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.88 +/- 1.38   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.17 +/- 1.76   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  28.04 +/- 1.13   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.94 +/- 1.68   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.66 +/- 1.59   0.000% *  0.0074% (0.12   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 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 152.4:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.39 +/- 0.15  99.680% * 94.8130% (1.00  10.0 10.00   4.55 152.35) = 100.000%  kept
          HD2   LYS+  74 - HG3   LYS+  65   7.59 +/- 2.10   0.265% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.89 +/- 2.59   0.006% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.75 +/- 1.48   0.038% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.40 +/- 2.24   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  16.88 +/- 1.91   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.36 +/- 1.25   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.58 +/- 1.70   0.002% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.30 +/- 1.25   0.002% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.69 +/- 1.33   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  15.69 +/- 1.46   0.002% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.35 +/- 2.45   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  17.40 +/- 1.52   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.80 +/- 1.27   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  32.33 +/- 2.10   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.92 +/- 0.79   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.84 +/- 1.76   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  25.22 +/- 2.28   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  22.84 +/- 2.10   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.09 +/- 1.17   0.000% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.81 +/- 1.46   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.56 +/- 1.52   0.000% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  32.40 +/- 1.23   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.64 +/- 1.40   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 0.07 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.885, support = 4.74, residual support = 157.6:
      O T QE    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.36  57.142% * 42.3520% (0.77  10.0 10.00   4.28 162.61) =  50.893%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.60 +/- 0.55  42.701% * 54.6859% (1.00  10.0 10.00   5.21 152.35) =  49.107%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.28 +/- 0.42   0.111% *  0.0187% (0.34   1.0  1.00   0.02   1.15) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.64 +/- 1.59   0.013% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.79 +/- 2.54   0.001% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  17.85 +/- 2.19   0.001% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  13.86 +/- 2.36   0.003% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  16.55 +/- 2.04   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.36 +/- 2.47   0.011% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.27 +/- 1.23   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.57 +/- 1.58   0.004% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  18.99 +/- 1.42   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  18.50 +/- 1.33   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.98 +/- 1.86   0.004% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.88 +/- 2.58   0.001% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  23.97 +/- 1.27   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.94 +/- 1.28   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.50 +/- 2.08   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  14.60 +/- 1.84   0.002% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.34 +/- 2.76   0.001% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.48 +/- 1.54   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.38 +/- 1.33   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  22.56 +/- 1.46   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  24.25 +/- 1.32   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.08 +/- 0.94   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.05 +/- 1.38   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.46 +/- 1.46   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.08 +/- 1.52   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  17.28 +/- 1.50   0.001% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  17.84 +/- 1.75   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.90 +/- 1.31   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.74 +/- 1.56   0.000% *  0.0176% (0.32   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 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 0.999, support = 4.79, residual support = 152.3:
    *   T HA    LYS+  33 - QD    LYS+  33   3.72 +/- 0.41  82.232% * 96.0049% (1.00 10.00   4.79 152.35) =  99.943%  kept
        T HA    GLU-  29 - QD    LYS+  33   7.21 +/- 1.17   4.014% *  0.9265% (0.97 10.00   0.02   0.02) =   0.047%
        T HA    GLN   32 - QD    LYS+  33   7.26 +/- 0.59   1.561% *  0.2669% (0.28 10.00   0.02  12.61) =   0.005%
          HB2   SER   37 - QD    LYS+  33   6.08 +/- 1.19  10.730% *  0.0214% (0.22  1.00   0.02   0.02) =   0.003%
          HA    VAL   18 - QD    LYS+  33   8.80 +/- 1.57   1.019% *  0.0908% (0.95  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QD    LYS+  33  10.32 +/- 1.38   0.307% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.68 +/- 0.85   0.096% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  18.61 +/- 1.22   0.006% *  0.0861% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.11 +/- 1.95   0.020% *  0.0133% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  33.42 +/- 2.07   0.000% *  0.8303% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.86 +/- 2.13   0.000% *  0.8603% (0.90 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.77 +/- 1.22   0.004% *  0.0266% (0.28  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  22.03 +/- 1.52   0.002% *  0.0453% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.57 +/- 1.55   0.001% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.88 +/- 1.22   0.002% *  0.0505% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.65 +/- 2.32   0.001% *  0.0746% (0.78  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  26.21 +/- 1.62   0.001% *  0.0814% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.70 +/- 0.69   0.002% *  0.0296% (0.31  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.36 +/- 2.34   0.000% *  0.2392% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  27.84 +/- 1.46   0.001% *  0.0772% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.46 +/- 1.56   0.001% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.60 +/- 2.13   0.000% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 152.4:
    * O T QB    LYS+  33 - QD    LYS+  33   2.20 +/- 0.18  99.519% * 94.1852% (1.00  10.0 10.00   5.10 152.35) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.06 +/- 0.82   0.412% *  0.0235% (0.25   1.0  1.00   0.02   0.29) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.93 +/- 1.73   0.001% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.21 +/- 2.02   0.010% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.75 +/- 1.76   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.48 +/- 2.02   0.009% *  0.0478% (0.51   1.0  1.00   0.02   2.10) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.54 +/- 1.79   0.029% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.74 +/- 0.64   0.009% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.27 +/- 2.37   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  12.84 +/- 2.04   0.005% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.45 +/- 1.50   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  17.57 +/- 2.74   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  24.15 +/- 2.89   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.71 +/- 1.18   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.68 +/- 1.06   0.000% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.96 +/- 2.23   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  18.93 +/- 0.75   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.08 +/- 2.47   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  28.06 +/- 1.58   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  19.17 +/- 1.20   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  29.37 +/- 1.82   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  22.41 +/- 1.45   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.61 +/- 1.97   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  24.39 +/- 1.73   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.93 +/- 1.72   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  25.63 +/- 1.01   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.96 +/- 2.59   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.98 +/- 1.99   0.000% *  0.0210% (0.22   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 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 152.4:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.39 +/- 0.15  99.608% * 93.1714% (1.00  10.0 10.00   4.55 152.35) = 100.000%  kept
          HB3   LEU   73 - QD    LYS+  33   8.12 +/- 1.68   0.140% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HD3   LYS+ 111   7.73 +/- 0.84   0.130% *  0.0749% (0.80   1.0  1.00   0.02  28.08) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.37 +/- 2.17   0.058% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.89 +/- 2.59   0.006% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.40 +/- 2.24   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  16.88 +/- 1.91   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  14.24 +/- 2.82   0.004% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.49 +/- 1.19   0.006% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.23 +/- 0.83   0.011% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.24 +/- 1.34   0.016% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.36 +/- 1.25   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.33 +/- 1.25   0.007% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.69 +/- 1.33   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.35 +/- 2.45   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.85 +/- 1.25   0.005% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  20.11 +/- 2.08   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.54 +/- 0.88   0.002% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.63 +/- 0.76   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.73 +/- 2.02   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  32.33 +/- 2.10   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.43 +/- 1.20   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.24 +/- 2.77   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  26.91 +/- 2.18   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.77 +/- 2.47   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.86 +/- 1.01   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  29.10 +/- 1.55   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  25.58 +/- 1.49   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.88 +/- 2.12   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  33.86 +/- 2.36   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 0.07 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 = 4.24, residual support = 152.4:
    * O T QE    LYS+  33 - QD    LYS+  33   2.12 +/- 0.02  99.954% * 96.5704% (1.00  10.0 10.00   4.24 152.35) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.99 +/- 1.00   0.012% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   8.30 +/- 0.38   0.029% *  0.0329% (0.34   1.0  1.00   0.02   1.15) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  15.23 +/- 2.45   0.001% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  16.21 +/- 1.26   0.001% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.48 +/- 1.39   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  13.44 +/- 1.65   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.44 +/- 0.87   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.76 +/- 1.80   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  24.36 +/- 1.68   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  20.29 +/- 1.32   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.58 +/- 1.28   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.63 +/- 2.05   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.72 +/- 2.07   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  26.20 +/- 2.74   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.35 +/- 2.31   0.000% *  0.0295% (0.31   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 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.993, support = 5.41, residual support = 151.1:
    *   T HA    LYS+  33 - QE    LYS+  33   3.69 +/- 0.95  61.938% * 76.3050% (1.00 10.00   5.44 152.35) =  99.089%  kept
        T HA    GLN   32 - QE    LYS+  33   6.94 +/- 1.42   1.829% * 21.2156% (0.28 10.00   3.32  12.61) =   0.813%  kept
        T HA    GLU-  29 - QE    LYS+  33   7.21 +/- 2.02   5.513% *  0.7364% (0.97 10.00   0.02   0.02) =   0.085%
          HB2   SER   37 - QE    LYS+  33   5.81 +/- 2.14  24.631% *  0.0170% (0.22  1.00   0.02   0.02) =   0.009%
          HA    VAL   18 - QE    LYS+  65   8.93 +/- 1.68   2.023% *  0.0371% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   18 - QE    LYS+  33   9.21 +/- 1.80   0.977% *  0.0722% (0.95  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.39 +/- 1.66   0.295% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASP-  76   8.23 +/- 1.57   2.221% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.93 +/- 1.09   0.070% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  10.51 +/- 0.93   0.206% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  19.92 +/- 1.76   0.005% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  20.61 +/- 2.06   0.004% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.72 +/- 0.82   0.012% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  14.61 +/- 1.14   0.028% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  12.52 +/- 0.99   0.069% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  14.52 +/- 2.57   0.034% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  18.81 +/- 1.62   0.007% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.14 +/- 0.98   0.004% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  21.67 +/- 1.66   0.003% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.82 +/- 0.88   0.004% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  21.06 +/- 1.77   0.003% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  13.79 +/- 2.14   0.059% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.65 +/- 1.77   0.001% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.20 +/- 1.78   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.98 +/- 0.93   0.024% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  16.58 +/- 1.90   0.013% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.40 +/- 1.61   0.008% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  18.12 +/- 0.83   0.007% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.74 +/- 1.12   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  21.37 +/- 1.32   0.003% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.68 +/- 1.85   0.002% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.70 +/- 1.69   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  22.18 +/- 1.26   0.002% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.11 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 152.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.72 +/- 0.65  98.294% * 97.9499% (1.00 10.00   5.67 152.35) = 100.000%  kept
          HB3   GLN   30 - QE    LYS+  33   6.38 +/- 1.40   1.087% *  0.0244% (0.25  1.00   0.02   0.29) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.22 +/- 0.60   0.317% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.30 +/- 1.45   0.104% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  65  11.73 +/- 1.70   0.045% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.14 +/- 1.53   0.004% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  16.04 +/- 0.95   0.004% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  16.02 +/- 1.94   0.006% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.52 +/- 1.42   0.016% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  15.34 +/- 1.82   0.007% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.45 +/- 1.20   0.003% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.28 +/- 1.92   0.019% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.65 +/- 1.27   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.91 +/- 2.20   0.013% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  19.09 +/- 1.39   0.002% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.35 +/- 0.93   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.55 +/- 1.02   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  17.84 +/- 2.06   0.003% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.14 +/- 1.18   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  16.85 +/- 1.96   0.005% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  21.14 +/- 2.56   0.001% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  15.77 +/- 0.99   0.005% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  12.71 +/- 0.94   0.017% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  15.71 +/- 2.04   0.005% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.25 +/- 1.63   0.005% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  21.50 +/- 0.84   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.16 +/- 1.40   0.003% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  24.71 +/- 1.99   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.62 +/- 2.30   0.007% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  15.44 +/- 1.77   0.009% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  18.90 +/- 1.63   0.002% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.25 +/- 0.84   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  24.54 +/- 1.73   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.01 +/- 2.45   0.001% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.63 +/- 1.13   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  20.55 +/- 0.92   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  28.34 +/- 1.92   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  21.47 +/- 1.05   0.001% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  28.11 +/- 1.79   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.75 +/- 1.09   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  24.98 +/- 0.73   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  24.46 +/- 1.36   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.801, support = 4.83, residual support = 156.5:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.60 +/- 0.55  41.876% * 63.8684% (1.00  10.0 10.00   5.21 152.35) =  59.342%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.36 +/- 0.36  56.310% * 32.5421% (0.51  10.0 10.00   4.28 162.61) =  40.658%  kept
          HB3   LEU   73 - QE    LYS+  33   8.55 +/- 2.09   0.288% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.80 +/- 1.28   0.980% *  0.0015% (0.02   1.0  1.00   0.02   2.85) =   0.000%
          QB    ALA   12 - QE    LYS+  33  10.75 +/- 2.44   0.022% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65   8.96 +/- 2.31   0.096% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.01 +/- 0.93   0.270% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  16.79 +/- 2.54   0.001% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  16.55 +/- 2.04   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.58 +/- 1.37   0.005% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  12.09 +/- 1.81   0.009% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  17.85 +/- 2.19   0.001% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.05 +/- 1.04   0.008% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  13.86 +/- 2.36   0.003% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  11.91 +/- 0.95   0.007% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.55 +/- 0.72   0.077% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76   9.52 +/- 0.85   0.016% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.27 +/- 1.23   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  12.77 +/- 1.70   0.008% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  14.75 +/- 3.32   0.004% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  18.99 +/- 1.42   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  12.71 +/- 1.24   0.004% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  18.50 +/- 1.33   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  23.97 +/- 1.27   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.94 +/- 1.28   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  14.65 +/- 0.67   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.79 +/- 1.38   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  16.45 +/- 0.78   0.001% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  16.78 +/- 1.19   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  14.41 +/- 1.33   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  18.51 +/- 1.52   0.000% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  15.47 +/- 1.68   0.001% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  24.25 +/- 1.32   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  13.79 +/- 1.14   0.002% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  16.16 +/- 1.69   0.001% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  17.07 +/- 1.14   0.001% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.22 +/- 0.58   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.30 +/- 1.55   0.000% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.14 +/- 2.94   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  23.01 +/- 1.12   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  29.17 +/- 1.72   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.96 +/- 1.78   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  16.24 +/- 0.74   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  23.00 +/- 1.93   0.000% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  22.76 +/- 1.69   0.000% *  0.0024% (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 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 152.4:
    * O T QD    LYS+  33 - QE    LYS+  33   2.12 +/- 0.02  99.190% * 97.4730% (1.00  10.0 10.00   4.24 152.35) = 100.000%  kept
          HD2   LYS+  74 - QE    LYS+  65   7.22 +/- 2.33   0.260% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.21 +/- 1.54   0.509% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.97 +/- 1.37   0.029% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  15.23 +/- 2.45   0.001% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  13.87 +/- 1.89   0.002% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  10.94 +/- 1.24   0.006% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  16.21 +/- 1.26   0.001% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.43 +/- 1.97   0.001% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.48 +/- 1.39   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.74 +/- 1.37   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.76 +/- 1.80   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.04 +/- 2.41   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  16.07 +/- 1.68   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  24.36 +/- 1.68   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  17.56 +/- 1.87   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  25.78 +/- 1.59   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  29.14 +/- 1.92   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.7:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  89.959% * 99.3602% (0.80  10.0 10.00   1.93  25.72) =  99.997%  kept
          QG2   THR   39 - HA    ALA   34   4.46 +/- 1.16   9.979% *  0.0308% (0.25   1.0  1.00   0.02   3.80) =   0.003%
          HG3   LYS+  38 - HA    ALA   34   7.35 +/- 0.43   0.057% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.63 +/- 1.59   0.000% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.76 +/- 0.61   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.59 +/- 2.07   0.003% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  20.70 +/- 1.56   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.38 +/- 0.94   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.37 +/- 1.41   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  21.32 +/- 3.18   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.42 +/- 0.78   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  28.07 +/- 0.96   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  22.20 +/- 0.88   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.37 +/- 1.88   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.7:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  98.702% * 98.8230% (0.80  10.0 10.00   1.93  25.72) =  99.999%  kept
          HA1   GLY  101 - QB    ALA   34   6.43 +/- 1.82   1.100% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ASN   28 - QB    ALA   34   7.01 +/- 0.27   0.080% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.66 +/- 0.01   0.105% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.62 +/- 0.41   0.012% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.63 +/- 1.59   0.000% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.58 +/- 0.70   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.36 +/- 1.11   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  16.57 +/- 0.59   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  23.02 +/- 0.84   0.000% *  0.0800% (0.65   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 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 55.4:
    * O T HB2   ASN   35 - HA    ASN   35   2.75 +/- 0.06  98.031% * 98.4270% (1.00  10.0 10.00   4.04  55.44) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40  10.43 +/- 0.62   0.035% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   7.15 +/- 2.20   1.578% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   7.91 +/- 0.97   0.246% *  0.0336% (0.34   1.0  1.00   0.02   1.15) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.94 +/- 0.51   0.009% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  14.91 +/- 1.14   0.004% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.54 +/- 1.33   0.041% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  16.61 +/- 0.80   0.002% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  12.79 +/- 2.30   0.028% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  17.44 +/- 0.87   0.002% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  18.26 +/- 1.60   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.69 +/- 0.70   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.80 +/- 1.55   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.70 +/- 0.91   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.38 +/- 1.34   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.09 +/- 1.05   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  16.86 +/- 1.37   0.002% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  22.56 +/- 1.18   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  18.90 +/- 1.38   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.25 +/- 1.05   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.29 +/- 1.13   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.971% * 98.9106% (1.00  10.0 10.00   5.58  86.79) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.17 +/- 0.87   0.006% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.68 +/- 1.68   0.020% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.74 +/- 0.83   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  24.74 +/- 0.83   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  31.32 +/- 0.97   0.000% *  0.0679% (0.69   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 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   3.13 +/- 0.76  99.994% * 99.8378% (1.00  10.0 10.00   3.62  86.79) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.32 +/- 1.18   0.004% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  21.83 +/- 1.60   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.93 +/- 0.79   0.000% *  0.0525% (0.53   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 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   3.43 +/- 0.34  99.988% * 99.2256% (1.00  10.0 10.00   3.62  86.79) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  19.16 +/- 3.13   0.007% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.41 +/- 0.63   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  24.64 +/- 1.23   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.52 +/- 1.21   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  33.21 +/- 1.28   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.07 +/- 1.78   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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   3.13 +/- 0.76  99.996% * 99.7630% (1.00  10.0 10.00   3.62  86.79) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  25.37 +/- 3.00   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  26.01 +/- 1.26   0.001% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.46 +/- 2.20   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  34.33 +/- 2.19   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.46 +/- 0.08  99.965% * 98.9106% (1.00  10.0 10.00   4.30  86.79) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.88 +/- 1.19   0.017% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.54 +/- 1.21   0.007% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.98 +/- 1.67   0.011% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  23.41 +/- 1.41   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  30.91 +/- 1.28   0.000% *  0.0679% (0.69   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 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 +/- 0.00 100.000% * 99.2256% (1.00  10.0 10.00   3.00  86.79) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  17.55 +/- 3.37   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.39 +/- 0.86   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  23.35 +/- 1.75   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.58 +/- 1.77   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.79 +/- 1.71   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.36 +/- 2.08   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   3.43 +/- 0.34  99.983% * 99.6097% (1.00  10.0 10.00   3.62  86.79) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  19.16 +/- 3.13   0.007% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  25.89 +/- 2.92   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.57 +/- 0.89   0.001% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  22.91 +/- 1.81   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.56 +/- 2.52   0.005% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.15 +/- 3.88   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  34.90 +/- 1.61   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  30.72 +/- 2.42   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  32.85 +/- 3.33   0.000% *  0.0065% (0.07   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 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 86.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.31 +/- 0.10  99.976% * 99.4418% (1.00  10.0  1.00   4.30  86.79) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.97 +/- 1.29   0.011% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.62 +/- 1.37   0.005% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.68 +/- 1.72   0.005% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.90 +/- 2.63   0.002% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  23.82 +/- 1.10   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  25.66 +/- 2.69   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  19.43 +/- 3.14   0.001% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.39 +/- 2.82   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  31.61 +/- 1.27   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.81 +/- 2.84   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.53 +/- 2.64   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 +/- 0.00 100.000% * 99.6937% (1.00  10.0 10.00   3.00  86.79) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.55 +/- 3.37   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.43 +/- 1.24   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  26.50 +/- 1.54   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.44 +/- 1.64   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  25.21 +/- 2.89   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  28.67 +/- 1.58   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  30.95 +/- 2.25   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 = 2.57, residual support = 27.5:
    * O T HB2   SER   37 - HA    SER   37   2.57 +/- 0.12  99.531% * 98.0025% (1.00  10.0 10.00   2.57  27.54) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.56 +/- 0.33   0.376% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  12.64 +/- 2.51   0.014% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  10.87 +/- 1.94   0.026% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.70 +/- 0.87   0.023% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  11.01 +/- 0.56   0.018% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  14.43 +/- 1.22   0.004% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.69 +/- 0.67   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  15.63 +/- 1.21   0.002% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  14.73 +/- 1.96   0.004% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  17.95 +/- 0.65   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  20.57 +/- 1.30   0.000% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.25 +/- 0.63   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  28.12 +/- 1.25   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.91 +/- 2.01   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.556, support = 2.21, residual support = 16.2:
      O T QB    SER   13 - HA    SER   13   2.45 +/- 0.14  75.569% * 28.4793% (0.35  10.0 10.00   1.93   7.60) =  56.980%  kept
    * O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.15  23.611% * 68.8149% (0.84  10.0 10.00   2.57  27.54) =  43.018%  kept
          HB    THR   39 - HA    SER   37   5.48 +/- 0.52   0.761% *  0.0566% (0.69   1.0  1.00   0.02   2.74) =   0.001%
        T QB    SER   13 - HA    SER   37  13.16 +/- 2.62   0.018% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  13.19 +/- 2.15   0.005% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.92 +/- 1.35   0.026% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  12.42 +/- 0.82   0.005% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  13.83 +/- 1.64   0.003% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.82 +/- 0.68   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.84 +/- 1.45   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.68 +/- 0.91   0.001% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.73 +/- 1.04   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.77 +/- 1.03   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  27.55 +/- 0.61   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.34 +/- 1.55   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  28.30 +/- 1.31   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  32.29 +/- 1.16   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.16 +/- 1.55   0.000% *  0.0150% (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 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.57, residual support = 27.5:
    * O T HA    SER   37 - HB2   SER   37   2.57 +/- 0.12  99.616% * 98.1694% (1.00  10.0 10.00   2.57  27.54) = 100.000%  kept
          HA    GLU-  15 - HB2   SER   37   8.23 +/- 1.81   0.252% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  12.64 +/- 2.51   0.014% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.41 +/- 0.53   0.099% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  11.89 +/- 1.46   0.013% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.44 +/- 0.46   0.005% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.69 +/- 0.67   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  25.04 +/- 1.00   0.000% *  0.0516% (0.53   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 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 = 27.5:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  95.661% * 98.8953% (0.84  10.0 10.00   2.00  27.54) =  99.996%  kept
          HB    THR   39 - HB2   SER   37   3.59 +/- 0.76   4.336% *  0.0813% (0.69   1.0  1.00   0.02   2.74) =   0.004%
        T QB    SER   13 - HB2   SER   37  12.01 +/- 2.34   0.003% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  23.00 +/- 0.88   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  26.15 +/- 0.75   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.28 +/- 1.38   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.56, support = 2.2, residual support = 16.0:
      O T HA    SER   13 - QB    SER   13   2.45 +/- 0.14  75.869% * 29.4827% (0.36  10.0 10.00   1.93   7.60) =  58.099%  kept
    * O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.15  23.705% * 68.0513% (0.84  10.0 10.00   2.57  27.54) =  41.901%  kept
        T HA    SER   37 - QB    SER   13  13.16 +/- 2.62   0.018% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QB    SER   13   6.97 +/- 0.75   0.193% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37   8.43 +/- 1.55   0.112% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  13.19 +/- 2.15   0.005% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   7.98 +/- 0.49   0.072% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.62 +/- 0.69   0.012% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  11.87 +/- 1.39   0.008% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.64 +/- 0.45   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.82 +/- 0.68   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.84 +/- 1.45   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.12 +/- 1.53   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  19.26 +/- 0.97   0.000% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  22.92 +/- 1.65   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.58 +/- 1.01   0.000% *  0.0358% (0.44   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 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 27.5:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.851% * 98.1382% (0.84  10.0 10.00   2.00  27.54) = 100.000%  kept
        T HA    VAL   70 - HB3   SER   37   8.83 +/- 0.55   0.007% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   37   5.44 +/- 0.37   0.123% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.01 +/- 2.34   0.003% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37   8.93 +/- 1.81   0.010% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.79 +/- 1.05   0.004% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  14.44 +/- 1.31   0.000% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.04 +/- 1.88   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.92 +/- 1.32   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.98 +/- 1.41   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.88, residual support = 221.9:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.84 +/- 0.18  97.239% * 99.6880% (1.00  10.0 10.00   6.88 221.86) =  99.998%  kept
        T HB2   LYS+  38 - HA    GLU- 100   5.59 +/- 0.88   2.691% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    LYS+  38  12.09 +/- 0.50   0.018% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.01 +/- 0.90   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.46 +/- 0.61   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  14.56 +/- 1.23   0.006% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.93 +/- 0.52   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  11.70 +/- 0.88   0.024% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.65 +/- 1.55   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.32 +/- 1.50   0.003% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  15.63 +/- 1.50   0.004% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.31 +/- 0.99   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.13 +/- 1.28   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.74 +/- 1.14   0.000% *  0.0032% (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 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 221.8:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.65 +/- 0.17  90.338% * 98.2125% (1.00  10.0 10.00   5.88 221.86) =  99.994%  kept
        T HB3   LYS+  38 - HA    GLU- 100   4.36 +/- 0.93   9.451% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.006%
          QB    LYS+  33 - HA    LYS+  38   8.19 +/- 0.38   0.108% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.81 +/- 0.85   0.013% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.22 +/- 1.61   0.002% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.88 +/- 0.69   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.50 +/- 0.66   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.36 +/- 1.22   0.036% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.54 +/- 1.09   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.42 +/- 1.16   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.97 +/- 1.37   0.008% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.84 +/- 0.26   0.021% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.18 +/- 0.41   0.004% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.07 +/- 0.97   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.91 +/- 0.48   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  27.24 +/- 1.23   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  33.20 +/- 1.02   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  15.84 +/- 2.23   0.004% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.41 +/- 0.81   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.59 +/- 1.26   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  27.99 +/- 1.47   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.69 +/- 1.28   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.53 +/- 0.90   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.54 +/- 0.82   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  26.32 +/- 1.54   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  32.06 +/- 1.08   0.000% *  0.0017% (0.02   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 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 221.8:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.61 +/- 0.66  89.809% * 98.4430% (1.00  10.0 10.00   6.90 221.86) =  99.984%  kept
        T HG2   LYS+  99 - HA    LYS+  38   7.13 +/- 1.09   0.909% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.010%
        T HG2   LYS+  99 - HA    GLU- 100   4.83 +/- 0.34   5.352% *  0.0583% (0.06   1.0 10.00   0.02  39.76) =   0.004%
        T HG2   LYS+  38 - HA    GLU- 100   5.00 +/- 1.12   3.580% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    LYS+  38  10.43 +/- 0.55   0.044% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.46 +/- 0.81   0.055% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.10 +/- 1.28   0.041% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.47 +/- 0.68   0.187% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.88 +/- 2.66   0.006% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  20.95 +/- 1.51   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  19.08 +/- 0.96   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.77 +/- 1.07   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.04 +/- 0.50   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.05 +/- 1.17   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.02 +/- 2.52   0.007% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.12 +/- 2.62   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  19.28 +/- 1.71   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.12 +/- 0.92   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.15 +/- 0.54   0.002% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  18.93 +/- 1.21   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.77 +/- 1.03   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.66 +/- 2.51   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 1 structures by 0.17 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.994, support = 6.59, residual support = 218.8:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.17 +/- 0.65  66.094% * 79.9638% (1.00  10.0 10.00   6.64 221.86) =  98.537%  kept
          QG2   THR   39 - HA    LYS+  38   5.59 +/- 0.53   3.011% * 17.0984% (0.90   1.0  1.00   4.77  23.16) =   0.960%  kept
          QB    ALA   34 - HA    LYS+  38   4.43 +/- 0.22  11.678% *  2.2656% (0.80   1.0  1.00   0.71   0.02) =   0.493%
        T HG3   LYS+  38 - HA    GLU- 100   5.22 +/- 1.09   4.787% *  0.0483% (0.06   1.0 10.00   0.02   0.02) =   0.004%
        T HG3   LYS+  99 - HA    LYS+  38   7.81 +/- 1.15   0.485% *  0.3001% (0.38   1.0 10.00   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HA    GLU- 100   5.24 +/- 0.61   5.698% *  0.0181% (0.02   1.0 10.00   0.02  39.76) =   0.002%
          QB    ALA   34 - HA    GLU- 100   5.30 +/- 1.14   6.846% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.14 +/- 1.21   0.210% *  0.0247% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   6.78 +/- 0.71   1.070% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  13.74 +/- 1.23   0.014% *  0.0453% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.87 +/- 1.63   0.091% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  22.33 +/- 1.60   0.001% *  0.0756% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.36 +/- 0.56   0.002% *  0.0359% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.24 +/- 0.89   0.002% *  0.0273% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.87 +/- 1.13   0.000% *  0.0717% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  15.36 +/- 1.73   0.007% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  21.07 +/- 1.62   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.26 +/- 1.41   0.001% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  19.39 +/- 0.98   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  20.17 +/- 0.86   0.001% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.15 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 221.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.53 +/- 0.46  63.332% * 97.0123% (1.00 10.00   6.00 221.86) =  99.965%  kept
        T QD    LYS+  38 - HA    GLU- 100   4.10 +/- 1.22  35.962% *  0.0586% (0.06 10.00   0.02   0.02) =   0.034%
          QD    LYS+ 102 - HA    LYS+  38  11.06 +/- 1.17   0.117% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   8.28 +/- 0.60   0.549% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.06 +/- 0.96   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  20.01 +/- 1.23   0.003% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  19.48 +/- 1.27   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  19.01 +/- 1.59   0.005% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  19.42 +/- 1.22   0.003% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  20.24 +/- 1.11   0.003% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.12 +/- 2.15   0.002% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  30.12 +/- 1.93   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  19.72 +/- 1.58   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.89 +/- 1.46   0.010% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  27.21 +/- 0.70   0.000% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  20.56 +/- 1.94   0.003% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.69 +/- 0.81   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.63 +/- 1.81   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.37 +/- 0.73   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.84 +/- 0.74   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.15 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.88, residual support = 221.8:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.84 +/- 0.18  97.306% * 99.6785% (1.00  10.0 10.00   6.88 221.86) =  99.994%  kept
        T HA    GLU- 100 - HB2   LYS+  38   5.59 +/- 0.88   2.693% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.006%
          HA    VAL   24 - HB2   LYS+  38  21.05 +/- 0.45   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  23.22 +/- 1.66   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  30.46 +/- 0.75   0.000% *  0.0154% (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 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 = 5.62, residual support = 221.9:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.995% * 98.9214% (1.00  10.0 10.00   5.62 221.86) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.36 +/- 0.43   0.005% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.01 +/- 0.87   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.68 +/- 0.65   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.20 +/- 0.79   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  17.04 +/- 1.73   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  18.52 +/- 0.99   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  30.71 +/- 1.50   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.44 +/- 0.91   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  29.47 +/- 1.22   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  29.33 +/- 1.15   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  31.03 +/- 0.85   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  35.52 +/- 0.97   0.000% *  0.0275% (0.28   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 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 221.9:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.69 +/- 0.20  99.839% * 98.5858% (1.00  10.0 10.00   6.63 221.86) =  99.999%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   8.40 +/- 0.89   0.139% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB2   LYS+  38  12.78 +/- 0.59   0.010% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.13 +/- 0.87   0.008% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.15 +/- 2.79   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  23.20 +/- 1.61   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  21.10 +/- 1.00   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.97 +/- 1.00   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.39 +/- 0.46   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  23.65 +/- 1.10   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.39 +/- 2.63   0.000% *  0.0789% (0.80   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 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 221.9:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.58 +/- 0.38  98.644% * 99.1122% (1.00  10.0 10.00   5.98 221.86) =  99.999%  kept
          QG2   THR   39 - HB2   LYS+  38   6.32 +/- 0.39   0.706% *  0.0889% (0.90   1.0  1.00   0.02  23.16) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.58 +/- 0.26   0.503% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB2   LYS+  38   8.96 +/- 1.01   0.101% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  38  10.29 +/- 1.16   0.041% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  15.20 +/- 1.28   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.12 +/- 0.62   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  24.24 +/- 1.56   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  21.41 +/- 0.94   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  26.10 +/- 1.13   0.000% *  0.0889% (0.90   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 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 221.8:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.65 +/- 0.17  90.531% * 99.5407% (1.00  10.0 10.00   5.88 221.86) =  99.977%  kept
        T HA    GLU- 100 - HB3   LYS+  38   4.36 +/- 0.93   9.468% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.023%
          HA    VAL   24 - HB3   LYS+  38  21.17 +/- 0.54   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  29.60 +/- 0.81   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  22.90 +/- 1.82   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 221.9:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.2933% (1.00  10.0 10.00   5.62 221.86) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.96 +/- 0.54   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.50 +/- 0.99   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  15.60 +/- 1.31   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.91 +/- 0.68   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.28 +/- 1.09   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.49 +/- 0.60   0.000% *  0.0339% (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 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 = 221.8:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.97 +/- 0.08  98.998% * 98.5858% (1.00  10.0 10.00   5.63 221.86) =  99.991%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.80 +/- 0.88   0.953% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.009%
          HB2   LEU   31 - HB3   LYS+  38  13.01 +/- 0.63   0.015% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.10 +/- 0.88   0.025% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.20 +/- 2.81   0.006% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  22.50 +/- 1.74   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  20.20 +/- 1.00   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.46 +/- 1.01   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.63 +/- 0.49   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.47 +/- 1.22   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  30.02 +/- 2.66   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 221.9:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.74 +/- 0.15  98.156% * 98.2829% (1.00  10.0 10.00   5.40 221.86) =  99.997%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   7.29 +/- 1.01   0.395% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HB3   LYS+  38   6.14 +/- 0.29   0.822% *  0.0881% (0.90   1.0  1.00   0.02  23.16) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.54 +/- 0.29   0.579% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  10.43 +/- 1.15   0.043% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  23.38 +/- 1.57   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  15.53 +/- 1.28   0.003% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.45 +/- 0.57   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  21.13 +/- 0.97   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.30 +/- 1.26   0.000% *  0.0881% (0.90   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 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 221.9:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.21 +/- 0.17  99.992% * 98.0597% (1.00  10.0 10.00   4.63 221.86) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.55 +/- 1.45   0.007% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  21.05 +/- 0.94   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.30 +/- 1.32   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  19.17 +/- 1.61   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.40 +/- 1.31   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.83 +/- 2.26   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.90 +/- 2.01   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.56 +/- 0.78   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.25 +/- 0.77   0.000% *  0.0218% (0.22   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 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.9, residual support = 221.8:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.61 +/- 0.66  90.077% * 99.3217% (1.00  10.0 10.00   6.90 221.86) =  99.985%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.00 +/- 1.12   3.596% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.009%
        T HA    GLU- 100 - HG2   LYS+  99   4.83 +/- 0.34   5.406% *  0.0603% (0.06   1.0 10.00   0.02  39.76) =   0.004%
        T HA    LYS+  38 - HG2   LYS+  99   7.13 +/- 1.09   0.919% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          HA    VAL   24 - HG2   LYS+  38  20.29 +/- 0.92   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  21.03 +/- 0.87   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  22.21 +/- 2.02   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  21.40 +/- 1.67   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.32 +/- 0.77   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.83 +/- 1.02   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 6.63, residual support = 221.9:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.69 +/- 0.20  99.762% * 99.4277% (1.00  10.0 10.00   6.63 221.86) = 100.000%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   8.40 +/- 0.89   0.139% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  99   9.43 +/- 0.99   0.077% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.91 +/- 0.96   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.10 +/- 0.84   0.002% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.58 +/- 0.89   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  15.90 +/- 1.62   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  14.91 +/- 1.41   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.24 +/- 0.72   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.92 +/- 1.48   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  19.53 +/- 1.34   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.14 +/- 1.29   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.97 +/- 0.95   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  26.67 +/- 1.22   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 221.9:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.97 +/- 0.08  98.699% * 98.9095% (1.00  10.0 10.00   5.63 221.86) =  99.997%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.80 +/- 0.88   0.951% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HG2   LYS+  38   9.21 +/- 0.37   0.114% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.50 +/- 0.84   0.012% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  12.29 +/- 2.35   0.070% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.70 +/- 0.48   0.048% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.57 +/- 0.51   0.052% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.75 +/- 0.61   0.017% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  13.01 +/- 1.00   0.016% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  15.20 +/- 1.33   0.007% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.26 +/- 1.15   0.006% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.06 +/- 0.82   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.52 +/- 1.83   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.15 +/- 1.21   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.67 +/- 1.29   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.14 +/- 1.32   0.000% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.19 +/- 1.28   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.33 +/- 0.85   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.33 +/- 1.25   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.97 +/- 1.33   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.20 +/- 0.81   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  24.42 +/- 0.85   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  29.81 +/- 1.58   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  26.22 +/- 1.50   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  35.19 +/- 1.11   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  30.00 +/- 1.07   0.000% *  0.0075% (0.08   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 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 = 6.46, residual support = 217.2:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.945% * 89.3422% (1.00  10.0 10.00   6.44 221.86) =  90.721%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.945% *  9.1383% (0.10  10.0 10.00   6.60 172.02) =   9.279%  kept
          QG2   THR   39 - HG2   LYS+  38   6.78 +/- 0.99   0.029% *  0.0801% (0.90   1.0  1.00   0.02  23.16) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   8.29 +/- 1.33   0.009% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.14 +/- 0.48   0.030% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.88 +/- 1.30   0.004% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.56 +/- 0.79   0.023% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.61 +/- 1.01   0.012% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.66 +/- 1.38   0.002% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.13 +/- 1.49   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  15.36 +/- 1.36   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  21.20 +/- 0.96   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  18.90 +/- 1.07   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.01 +/- 1.59   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  19.09 +/- 1.62   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.66 +/- 0.67   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  23.98 +/- 1.64   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.43 +/- 1.45   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.55 +/- 1.67   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.82 +/- 0.67   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 = 221.9:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.35 +/- 0.17  99.596% * 96.4250% (1.00  10.0 10.00   5.75 221.86) =  99.999%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.53 +/- 1.11   0.339% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HG2   LYS+  99   9.13 +/- 1.30   0.046% *  0.2104% (0.22   1.0 10.00   0.02   1.68) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.69 +/- 1.62   0.010% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.66 +/- 1.06   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.86 +/- 1.60   0.006% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.52 +/- 0.95   0.000% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  21.47 +/- 1.31   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.14 +/- 1.73   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.57 +/- 1.63   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.11 +/- 2.02   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  21.80 +/- 1.63   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  23.46 +/- 2.38   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.73 +/- 1.93   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.75 +/- 1.28   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.81 +/- 1.92   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  23.31 +/- 1.03   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.15 +/- 0.73   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.63 +/- 0.94   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.35 +/- 0.80   0.000% *  0.0059% (0.06   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 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 221.8:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.17 +/- 0.65  84.247% * 99.5416% (1.00  10.0 10.00   6.64 221.86) =  99.980%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.22 +/- 1.09   6.282% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.017%
        T HA    GLU- 100 - HG3   LYS+  99   5.24 +/- 0.61   8.712% *  0.0231% (0.02   1.0 10.00   0.02  39.76) =   0.002%
        T HA    LYS+  38 - HG3   LYS+  99   7.81 +/- 1.15   0.754% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  21.10 +/- 1.00   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  22.93 +/- 1.88   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  21.78 +/- 1.05   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  21.82 +/- 1.93   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.76 +/- 1.22   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.42 +/- 1.38   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.10 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 221.9:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.58 +/- 0.38  99.844% * 99.6340% (1.00  10.0 10.00   5.98 221.86) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   8.96 +/- 1.01   0.103% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.27 +/- 0.76   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.90 +/- 0.85   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.41 +/- 0.81   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99  10.46 +/- 1.08   0.037% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  16.36 +/- 1.55   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.06 +/- 0.59   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  15.97 +/- 1.10   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  21.78 +/- 1.37   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  30.73 +/- 1.45   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  20.42 +/- 1.26   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  24.79 +/- 1.05   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  26.97 +/- 1.43   0.000% *  0.0055% (0.05   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 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 221.9:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.74 +/- 0.15  99.411% * 98.2474% (1.00  10.0 10.00   5.40 221.86) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   7.29 +/- 1.01   0.400% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.91 +/- 0.33   0.048% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.30 +/- 0.92   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.21 +/- 0.69   0.044% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.58 +/- 0.74   0.034% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.53 +/- 1.29   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.66 +/- 0.77   0.011% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.36 +/- 1.22   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.14 +/- 2.77   0.028% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.58 +/- 1.65   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.66 +/- 1.64   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.33 +/- 1.46   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  13.89 +/- 1.02   0.007% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  16.15 +/- 1.15   0.003% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.54 +/- 1.39   0.000% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.32 +/- 1.23   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.81 +/- 1.14   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  29.76 +/- 1.64   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.39 +/- 1.78   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.41 +/- 0.95   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.65 +/- 1.44   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.89 +/- 1.17   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  26.49 +/- 1.62   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  35.67 +/- 1.47   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  30.50 +/- 1.28   0.000% *  0.0029% (0.03   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 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.46, residual support = 217.2:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.991% * 89.3736% (1.00  10.0 10.00   6.44 221.86) =  90.721%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.991% *  9.1415% (0.10  10.0 10.00   6.60 172.02) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   8.29 +/- 1.33   0.009% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 1.30   0.004% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.63 +/- 1.08   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.80 +/- 1.45   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.96 +/- 0.23   0.003% *  0.0014% (0.02   1.0  1.00   0.02  17.15) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.57 +/- 3.24   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.58 +/- 3.03   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  15.12 +/- 1.26   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.76 +/- 1.73   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.87 +/- 2.65   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.40 +/- 1.35   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.94 +/- 1.39   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.64 +/- 1.26   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.61 +/- 0.81   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.34 +/- 1.20   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.69 +/- 1.90   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.38 +/- 0.94   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.10 +/- 1.10   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.15 +/- 2.69   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.69 +/- 1.27   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 = 221.9:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.38 +/- 0.15  99.534% * 97.6899% (1.00  10.0 10.00   5.42 221.86) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   6.75 +/- 1.29   0.339% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.53 +/- 1.60   0.108% *  0.0816% (0.08   1.0 10.00   0.02   1.68) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.81 +/- 1.57   0.010% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.05 +/- 1.08   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.10 +/- 1.29   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.97 +/- 1.88   0.006% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  19.40 +/- 0.99   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.67 +/- 2.00   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  22.54 +/- 1.34   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.12 +/- 1.59   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.35 +/- 2.48   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.48 +/- 2.69   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.06 +/- 2.15   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.60 +/- 1.97   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  21.29 +/- 1.63   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.58 +/- 1.36   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.60 +/- 1.30   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  30.11 +/- 1.31   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.57 +/- 0.93   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.99, residual support = 221.6:
    *   T HA    LYS+  38 - QD    LYS+  38   3.53 +/- 0.46  63.568% * 98.6212% (1.00 10.00   6.00 221.86) =  99.874%  kept
        T HA    GLU- 100 - QD    LYS+  38   4.10 +/- 1.22  36.038% *  0.2196% (0.22 10.00   0.02   0.02) =   0.126%
        T HD2   PRO   58 - QD    LYS+  65  10.51 +/- 1.21   0.212% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  13.28 +/- 1.17   0.037% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  12.26 +/- 1.16   0.081% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.51 +/- 1.40   0.017% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  19.48 +/- 1.27   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.06 +/- 0.96   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  20.83 +/- 2.12   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.63 +/- 0.92   0.003% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  19.72 +/- 1.58   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  20.24 +/- 1.11   0.003% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  20.34 +/- 1.42   0.003% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  17.77 +/- 1.43   0.007% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.47 +/- 0.89   0.000% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  15.01 +/- 1.75   0.020% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  30.12 +/- 1.93   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.63 +/- 1.81   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  28.21 +/- 1.27   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  24.50 +/- 1.32   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 5.25, residual support = 221.9:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.96 +/- 0.38  93.399% * 99.6020% (1.00  10.0   5.25 221.86) = 100.000%  kept
          QG    GLN   17 - QD    LYS+  65   6.86 +/- 1.94   5.708% *  0.0045% (0.05   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74   8.26 +/- 2.01   0.697% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.84 +/- 0.87   0.021% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  10.92 +/- 1.86   0.073% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.38 +/- 0.55   0.060% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.22 +/- 0.70   0.003% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  15.26 +/- 1.31   0.007% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.89 +/- 0.64   0.005% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.70 +/- 1.72   0.004% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  16.11 +/- 1.33   0.005% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.11 +/- 1.26   0.005% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.79 +/- 0.70   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  18.32 +/- 2.07   0.002% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.57 +/- 1.35   0.001% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  20.59 +/- 2.49   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.40 +/- 1.05   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.27 +/- 2.33   0.003% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  27.45 +/- 1.53   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.82 +/- 2.02   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  21.26 +/- 1.98   0.001% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  20.77 +/- 1.69   0.001% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.16 +/- 1.60   0.001% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  25.15 +/- 2.02   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  32.30 +/- 1.96   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  34.63 +/- 1.36   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  34.16 +/- 1.45   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  34.05 +/- 1.30   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 221.9:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.21 +/- 0.17  99.748% * 98.4611% (1.00  10.0 10.00   4.63 221.86) = 100.000%  kept
          HB3   PRO   58 - QD    LYS+  65   8.07 +/- 1.22   0.152% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38  10.05 +/- 0.41   0.012% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.36 +/- 1.46   0.007% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.79 +/- 0.83   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  13.94 +/- 1.07   0.002% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.62 +/- 0.97   0.006% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.53 +/- 1.91   0.014% *  0.0072% (0.07   1.0  1.00   0.02   2.10) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  11.31 +/- 1.57   0.015% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.15 +/- 1.24   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.53 +/- 1.57   0.005% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.28 +/- 1.25   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.91 +/- 0.84   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65  10.81 +/- 1.07   0.009% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.30 +/- 1.32   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  15.03 +/- 1.38   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  21.05 +/- 0.94   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.63 +/- 1.09   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  15.62 +/- 1.74   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.17 +/- 1.32   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  15.71 +/- 1.73   0.001% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  15.23 +/- 1.28   0.001% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.25 +/- 1.38   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  17.80 +/- 1.62   0.000% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.49 +/- 1.99   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  15.28 +/- 1.96   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.03 +/- 1.33   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  18.51 +/- 2.19   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  18.95 +/- 1.74   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.19 +/- 1.80   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  17.31 +/- 2.14   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  23.89 +/- 1.42   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.22 +/- 1.01   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  18.28 +/- 1.33   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  17.47 +/- 1.77   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.76 +/- 1.15   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  17.24 +/- 1.84   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  27.33 +/- 0.95   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.81 +/- 1.80   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.62 +/- 1.13   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.65 +/- 2.63   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.11 +/- 1.69   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  21.40 +/- 1.68   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.72 +/- 1.39   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.90 +/- 2.01   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  21.11 +/- 1.08   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.39 +/- 1.87   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  22.32 +/- 1.35   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  31.88 +/- 0.96   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  28.76 +/- 1.45   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  23.50 +/- 2.45   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  29.19 +/- 1.27   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.985, support = 5.76, residual support = 223.4:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.35 +/- 0.17  77.886% * 91.2181% (1.00  10.0 10.00   5.75 221.86) =  98.373%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.94 +/- 0.04  21.337% *  5.4974% (0.06  10.0 10.00   6.21 315.01) =   1.624%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.53 +/- 1.11   0.265% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HD2   LYS+  74   6.73 +/- 1.11   0.240% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.98 +/- 0.90   0.085% *  0.0075% (0.08   1.0  1.00   0.02   1.53) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   8.94 +/- 1.87   0.059% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   8.89 +/- 1.17   0.043% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.09 +/- 0.96   0.005% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65   9.18 +/- 1.17   0.040% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.58 +/- 1.76   0.011% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.23 +/- 0.92   0.007% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.14 +/- 1.73   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.52 +/- 0.95   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.28 +/- 1.45   0.006% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.06 +/- 2.65   0.002% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.47 +/- 1.31   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.19 +/- 2.60   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 2.01   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.66 +/- 1.06   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  22.28 +/- 1.79   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.17 +/- 2.01   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  16.00 +/- 1.07   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.44 +/- 1.49   0.003% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.12 +/- 0.97   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  17.19 +/- 1.18   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.79 +/- 1.15   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.45 +/- 0.88   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.66 +/- 1.55   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.11 +/- 1.49   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.43 +/- 1.36   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.68 +/- 0.97   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.73 +/- 1.93   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.17 +/- 1.26   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 1.03   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  19.77 +/- 1.52   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.61 +/- 1.06   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  18.61 +/- 1.71   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.71 +/- 1.15   0.001% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.12 +/- 1.20   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.81 +/- 1.92   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.71 +/- 0.84   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  25.03 +/- 1.69   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.76 +/- 1.83   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.37 +/- 1.61   0.000% *  0.0050% (0.05   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 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.968, support = 5.43, residual support = 220.7:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.15  67.015% * 91.1914% (1.00  10.0 10.00   5.42 221.86) =  96.539%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.72 +/- 0.23  32.106% *  6.8213% (0.07  10.0 10.00   5.54 187.65) =   3.460%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.75 +/- 1.29   0.207% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QD    LYS+  38   6.79 +/- 0.54   0.159% *  0.0818% (0.90   1.0  1.00   0.02  23.16) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65   7.88 +/- 1.60   0.210% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.70 +/- 0.50   0.154% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.22 +/- 1.09   0.028% *  0.0113% (0.12   1.0  1.00   0.02   8.51) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 1.04   0.010% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.02 +/- 1.14   0.035% *  0.0065% (0.07   1.0  1.00   0.02   2.10) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.04 +/- 1.34   0.009% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.14 +/- 1.66   0.015% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  11.97 +/- 1.56   0.006% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.40 +/- 2.29   0.015% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.32 +/- 1.28   0.009% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.08 +/- 1.04   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.38 +/- 0.96   0.004% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.70 +/- 1.30   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.40 +/- 0.92   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.32 +/- 1.20   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.23 +/- 1.02   0.002% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.10 +/- 1.29   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.85 +/- 1.34   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.05 +/- 1.08   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  15.86 +/- 1.17   0.001% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.24 +/- 1.36   0.003% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.40 +/- 0.99   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.12 +/- 1.59   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.59 +/- 1.48   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  15.41 +/- 1.54   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.91 +/- 0.66   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  17.29 +/- 1.39   0.001% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.94 +/- 1.56   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  22.99 +/- 1.36   0.000% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.60 +/- 1.97   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.06 +/- 2.15   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.54 +/- 1.44   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  23.28 +/- 1.35   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  27.23 +/- 1.11   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  29.44 +/- 1.32   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  28.93 +/- 1.40   0.000% *  0.0021% (0.02   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 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - HA    THR   39   2.94 +/- 0.20  95.716% * 98.6574% (1.00  10.0 10.00   3.00  38.49) =  99.996%  kept
          HB3   SER   37 - HA    THR   39   5.10 +/- 0.41   4.201% *  0.0952% (0.97   1.0  1.00   0.02   2.74) =   0.004%
        T HB    THR   39 - HA    ILE  103  13.12 +/- 0.68   0.014% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.63 +/- 1.95   0.010% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  12.07 +/- 0.61   0.022% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.99 +/- 0.95   0.015% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.85 +/- 1.44   0.007% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.06 +/- 0.86   0.006% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  19.13 +/- 1.00   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.32 +/- 1.93   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.15 +/- 1.19   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  24.00 +/- 0.82   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.66 +/- 1.17   0.000% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.35 +/- 1.81   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  31.38 +/- 1.17   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.70 +/- 1.42   0.000% *  0.0325% (0.33   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 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T QG2   THR   39 - HA    THR   39   2.47 +/- 0.41  95.614% * 97.0314% (0.87  10.0 10.00   3.00  38.49) =  99.996%  kept
          HG3   LYS+  38 - HA    THR   39   6.22 +/- 1.01   1.904% *  0.1116% (1.00   1.0  1.00   0.02  23.16) =   0.002%
          QB    ALA   34 - HA    THR   39   5.52 +/- 0.35   1.320% *  0.0934% (0.84   1.0  1.00   0.02   3.80) =   0.001%
          HG    LEU   71 - HA    THR   39   6.58 +/- 1.12   0.622% *  0.0311% (0.28   1.0  1.00   0.02   0.22) =   0.000%
          HG3   LYS+  99 - HA    THR   39   6.97 +/- 0.78   0.259% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.04 +/- 0.40   0.020% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.90 +/- 0.60   0.166% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.08 +/- 0.77   0.060% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.78 +/- 1.70   0.003% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.03 +/- 1.40   0.015% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  19.78 +/- 0.56   0.001% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.71 +/- 1.21   0.006% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.51 +/- 1.14   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  15.68 +/- 1.70   0.003% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.86 +/- 0.83   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  20.50 +/- 1.47   0.001% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  17.37 +/- 1.09   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  15.06 +/- 1.22   0.003% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.84 +/- 1.28   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.38 +/- 0.85   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - HB    THR   39   2.94 +/- 0.20  99.976% * 98.7925% (1.00  10.0 10.00   3.00  38.49) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  13.12 +/- 0.68   0.015% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.49 +/- 0.95   0.006% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.52 +/- 2.06   0.002% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.45 +/- 0.85   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  23.01 +/- 0.96   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.33 +/- 1.26   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  25.01 +/- 1.13   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  31.51 +/- 1.05   0.000% *  0.0968% (0.98   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 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 = 0.867, support = 2.98, residual support = 38.0:
    * O T QG2   THR   39 - HB    THR   39   2.17 +/- 0.01  88.864% * 55.6894% (0.87  10.0 10.00   3.00  38.49) =  98.566%  kept
        T QB    ALA   34 - HB    THR   39   4.33 +/- 0.51   1.670% * 43.0247% (0.84   1.0 10.00   1.60   3.80) =   1.431%  kept
          HG    LEU   71 - HB    THR   39   4.22 +/- 1.32   9.322% *  0.0179% (0.28   1.0  1.00   0.02   0.22) =   0.003%
          HG3   LYS+  38 - HB    THR   39   7.49 +/- 0.92   0.108% *  0.0641% (1.00   1.0  1.00   0.02  23.16) =   0.000%
        T HG3   LYS+  99 - HB    THR   39   9.30 +/- 0.84   0.017% *  0.2190% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39   9.42 +/- 1.47   0.018% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  17.71 +/- 0.82   0.000% *  0.3125% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  23.08 +/- 1.15   0.000% *  0.5569% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  15.51 +/- 1.20   0.001% *  0.0198% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  20.15 +/- 1.45   0.000% *  0.0620% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T HA    THR   39 - QG2   THR   39   2.47 +/- 0.41  98.904% * 96.3159% (0.87  10.0 10.00   3.00  38.49) =  99.999%  kept
          HA    GLU-  79 - QG2   THR   23   6.94 +/- 0.90   0.401% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.04 +/- 0.40   0.022% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.45 +/- 2.11   0.158% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.24 +/- 1.21   0.213% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   91   7.62 +/- 0.98   0.213% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  12.51 +/- 0.86   0.009% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.78 +/- 1.70   0.003% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.07 +/- 1.52   0.024% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  11.07 +/- 0.86   0.020% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.59 +/- 0.38   0.009% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  19.78 +/- 0.56   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  13.58 +/- 0.80   0.007% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.86 +/- 0.83   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  14.49 +/- 1.18   0.004% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.51 +/- 1.14   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.77 +/- 0.55   0.003% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.02 +/- 1.57   0.002% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  19.79 +/- 0.95   0.001% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  18.58 +/- 0.85   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.08 +/- 1.05   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  19.48 +/- 0.72   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  21.27 +/- 1.24   0.001% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  20.33 +/- 1.26   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  21.55 +/- 3.04   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.90 +/- 0.65   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  34.30 +/- 1.86   0.000% *  0.0221% (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 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.5:
    * O T HB    THR   39 - QG2   THR   39   2.17 +/- 0.01  91.076% * 97.9974% (0.87  10.0 10.00   3.00  38.49) =  99.992%  kept
          HB3   SER   37 - QG2   THR   39   3.98 +/- 0.76   7.284% *  0.0946% (0.84   1.0  1.00   0.02   2.74) =   0.008%
          HA    ILE   89 - QB    ALA   91   4.69 +/- 0.63   1.322% *  0.0447% (0.40   1.0  1.00   0.02   7.75) =   0.001%
          HD3   PRO   52 - QB    ALA   91   7.90 +/- 2.10   0.221% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   23   8.90 +/- 1.36   0.043% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.48 +/- 1.35   0.010% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.98 +/- 1.21   0.027% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  17.71 +/- 0.82   0.000% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  12.90 +/- 1.99   0.004% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.66 +/- 0.74   0.007% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.37 +/- 0.77   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.57 +/- 0.86   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  23.08 +/- 1.15   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  16.35 +/- 1.03   0.001% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.29 +/- 1.58   0.000% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.44 +/- 0.86   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.60 +/- 0.93   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.59 +/- 1.42   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.91 +/- 1.44   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.46 +/- 0.70   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.70 +/- 0.67   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  25.06 +/- 1.12   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  27.20 +/- 1.15   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.50 +/- 0.68   0.000% *  0.0115% (0.10   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 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 = 100.9:
    * O T HB2   LEU   40 - HA    LEU   40   2.49 +/- 0.15  97.793% * 97.9662% (1.00  10.0 10.00   5.13 100.86) =  99.999%  kept
          HB3   GLU-  14 - HA    GLU-  15   5.05 +/- 0.64   2.052% *  0.0386% (0.39   1.0  1.00   0.02   1.25) =   0.001%
        T HB2   LEU   40 - HA    ASN   35  10.09 +/- 0.37   0.023% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.25 +/- 1.24   0.009% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.11 +/- 1.36   0.034% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15  10.95 +/- 1.01   0.016% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   9.01 +/- 0.32   0.046% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.68 +/- 0.33   0.010% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  12.68 +/- 1.15   0.007% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.15 +/- 1.06   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.77 +/- 1.47   0.001% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  16.59 +/- 1.28   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.63 +/- 0.64   0.002% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.93 +/- 0.74   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.11 +/- 2.04   0.001% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  16.97 +/- 1.03   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.92 +/- 1.99   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  28.16 +/- 0.88   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  29.53 +/- 1.46   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  24.35 +/- 2.61   0.000% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  33.94 +/- 1.00   0.000% *  0.0223% (0.23   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 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.813, support = 5.32, residual support = 100.9:
    * O T HB3   LEU   40 - HA    LEU   40   2.95 +/- 0.17  46.659% * 70.6117% (1.00  10.0 10.00   5.35 100.86) =  70.066%  kept
      O T HG    LEU   40 - HA    LEU   40   2.93 +/- 0.42  53.111% * 26.5014% (0.38  10.0 10.00   5.27 100.86) =  29.933%  kept
        T HB3   LEU   40 - HA    GLU-  15  11.21 +/- 1.43   0.020% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.58 +/- 0.44   0.023% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.76 +/- 0.43   0.019% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.45 +/- 1.87   0.040% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  10.70 +/- 1.84   0.040% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  19.98 +/- 1.16   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.79 +/- 0.64   0.021% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.70 +/- 1.34   0.004% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.83 +/- 1.12   0.008% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.97 +/- 1.11   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  12.92 +/- 0.91   0.008% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  12.84 +/- 1.98   0.013% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.43 +/- 2.26   0.012% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.83 +/- 0.45   0.005% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.88 +/- 0.77   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.74 +/- 0.38   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  24.08 +/- 1.36   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.56 +/- 1.27   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.15 +/- 0.89   0.002% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  27.15 +/- 1.11   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.93 +/- 1.78   0.001% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.86 +/- 1.07   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.83 +/- 0.77   0.001% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.29 +/- 1.35   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  24.68 +/- 1.62   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.12 +/- 2.11   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.16 +/- 2.18   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.67 +/- 1.34   0.000% *  0.0059% (0.08   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 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 100.9:
    * O T HA    LEU   40 - HB2   LEU   40   2.49 +/- 0.15  89.430% * 98.0349% (1.00  10.0 10.00   5.13 100.86) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   3.84 +/- 0.65   9.757% *  0.0244% (0.25   1.0  1.00   0.02  12.70) =   0.003%
        T HA    GLU-  15 - HB2   LEU   40  12.25 +/- 1.24   0.008% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40  10.09 +/- 0.37   0.021% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.11 +/- 1.36   0.031% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   6.26 +/- 1.23   0.631% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67  10.95 +/- 1.01   0.015% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  13.25 +/- 2.37   0.014% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.47 +/- 0.28   0.018% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  11.43 +/- 1.71   0.015% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.66 +/- 2.04   0.029% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.25 +/- 1.02   0.007% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.39 +/- 1.43   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.77 +/- 1.47   0.001% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  20.15 +/- 0.94   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.77 +/- 1.65   0.013% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.30 +/- 0.33   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  14.52 +/- 1.11   0.003% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  21.72 +/- 1.28   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.94 +/- 1.13   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.24 +/- 1.38   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.24 +/- 1.30   0.001% *  0.0034% (0.03   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 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 = 0.974, support = 4.2, residual support = 100.4:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  83.150% * 69.9238% (1.00  10.0 10.00   4.20 100.86) =  96.062%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.68 +/- 0.29   8.037% * 26.2432% (0.38  10.0  1.00   4.73 100.86) =   3.485%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.28   8.734% *  3.1374% (0.04  10.0  1.00   5.11  58.76) =   0.453%
        T HB3   LEU   40 - HB2   LEU   67   7.92 +/- 1.45   0.022% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.55 +/- 1.72   0.014% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   9.68 +/- 1.84   0.007% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.14 +/- 0.82   0.024% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.46 +/- 1.36   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.59 +/- 1.78   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.31 +/- 2.27   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  18.62 +/- 1.21   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.50 +/- 1.83   0.002% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  10.77 +/- 2.13   0.003% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.12 +/- 1.43   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.68 +/- 0.86   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  15.22 +/- 0.50   0.000% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  19.40 +/- 1.11   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.73 +/- 0.92   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  11.78 +/- 2.32   0.002% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.72 +/- 1.30   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 = 5.35, residual support = 100.9:
    * O T HA    LEU   40 - HB3   LEU   40   2.95 +/- 0.17  86.535% * 97.9684% (1.00  10.0 10.00   5.35 100.86) =  99.997%  kept
          HA    LYS+  99 - HB3   LEU   40   4.76 +/- 0.79   8.481% *  0.0244% (0.25   1.0  1.00   0.02  12.70) =   0.002%
        T HA    GLU-  15 - HB3   LEU   40  11.21 +/- 1.43   0.041% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.75 +/- 1.41   4.489% *  0.0047% (0.05   1.0  1.00   0.02   0.56) =   0.000%
        T HA    ASN   35 - HB3   LEU   40  10.58 +/- 0.44   0.044% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40   9.97 +/- 1.93   0.103% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  12.68 +/- 2.29   0.057% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.72 +/- 0.27   0.041% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.37 +/- 1.20   0.117% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  10.37 +/- 1.16   0.071% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  17.51 +/- 1.67   0.003% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.97 +/- 1.11   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.82 +/- 1.01   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.15 +/- 0.56   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.86 +/- 0.76   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  24.08 +/- 1.36   0.000% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  20.64 +/- 1.33   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.86 +/- 1.07   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  19.06 +/- 1.70   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.91 +/- 1.09   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  30.09 +/- 2.04   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.84 +/- 1.20   0.000% *  0.0043% (0.04   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 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 100.9:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.967% * 99.4293% (1.00  10.0 10.00   4.20 100.86) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   7.92 +/- 1.45   0.028% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.53 +/- 0.49   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  11.35 +/- 1.51   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  15.66 +/- 1.47   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.20 +/- 1.31   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  18.62 +/- 1.21   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.12 +/- 1.43   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.84 +/- 1.36   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  16.62 +/- 1.60   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  24.01 +/- 2.40   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  27.02 +/- 0.98   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  27.23 +/- 1.88   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  35.70 +/- 3.62   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 = 4.0, residual support = 74.0:
    * O T HB    VAL   41 - HA    VAL   41   2.90 +/- 0.22  99.578% * 99.0830% (0.69  10.0 10.00   4.00  74.04) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   9.32 +/- 0.47   0.103% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   8.81 +/- 0.55   0.154% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  11.35 +/- 1.24   0.040% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.42 +/- 0.68   0.030% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.48 +/- 0.82   0.031% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.70 +/- 0.39   0.026% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.60 +/- 0.81   0.029% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  17.32 +/- 1.99   0.005% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.93 +/- 0.64   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  23.97 +/- 1.20   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.75 +/- 0.59   0.002% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  21.61 +/- 1.24   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  24.87 +/- 1.05   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.10 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 74.0:
    * O T QG1   VAL   41 - HA    VAL   41   2.44 +/- 0.29  97.334% * 98.7361% (1.00  10.0 10.00   4.20  74.04) =  99.997%  kept
          QG1   VAL   43 - HA    VAL   41   5.24 +/- 0.42   1.424% *  0.0934% (0.95   1.0  1.00   0.02   2.00) =   0.001%
        T QG2   VAL   18 - HA    VAL   41   8.05 +/- 0.76   0.124% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    VAL   41   6.23 +/- 1.05   0.782% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   9.07 +/- 0.97   0.049% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   41   8.82 +/- 1.63   0.121% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   7.91 +/- 0.86   0.160% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.43 +/- 1.00   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.35 +/- 0.91   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 74.0:
    * O T QG2   VAL   41 - HA    VAL   41   2.47 +/- 0.28  96.414% * 99.7508% (1.00  10.0 10.00   3.94  74.04) =  99.997%  kept
          QD2   LEU   98 - HA    VAL   41   4.75 +/- 0.59   3.395% *  0.0944% (0.95   1.0  1.00   0.02  24.34) =   0.003%
          QD2   LEU   63 - HA    VAL   41   7.71 +/- 1.00   0.181% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  12.64 +/- 1.42   0.010% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 74.0:
    * O T HA    VAL   41 - HB    VAL   41   2.90 +/- 0.22  99.975% * 99.8595% (0.69  10.0 10.00   4.00  74.04) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.70 +/- 1.44   0.013% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  13.11 +/- 0.55   0.012% *  0.0606% (0.42   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 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 = 74.0:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.02  98.282% * 98.7361% (0.69  10.0 10.00   3.97  74.04) =  99.998%  kept
          QG1   VAL   43 - HB    VAL   41   4.59 +/- 0.40   1.113% *  0.0934% (0.65   1.0  1.00   0.02   2.00) =   0.001%
          HG    LEU   31 - HB    VAL   41   7.04 +/- 1.69   0.255% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    VAL   41   6.48 +/- 1.25   0.264% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41   9.83 +/- 0.92   0.012% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.46 +/- 1.31   0.047% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   8.87 +/- 0.97   0.024% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  14.09 +/- 1.00   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.20 +/- 0.94   0.001% *  0.0220% (0.15   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 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.93, residual support = 72.5:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  73.211% * 91.8012% (0.69  10.0 10.00   3.99  74.04) =  96.891%  kept
          QD2   LEU   98 - HB    VAL   41   2.81 +/- 0.70  26.773% *  8.0562% (0.65   1.0  1.00   1.86  24.34) =   3.109%  kept
          QD2   LEU   63 - HB    VAL   41   9.21 +/- 0.98   0.013% *  0.0557% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.41 +/- 1.47   0.003% *  0.0868% (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 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 74.0:
    * O T HA    VAL   41 - QG2   VAL   41   2.47 +/- 0.28  99.959% * 99.8595% (1.00  10.0 10.00   3.94  74.04) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.96 +/- 0.72   0.027% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  11.88 +/- 1.10   0.014% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.99, residual support = 74.0:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.681% * 99.0830% (0.69  10.0 10.00   3.99  74.04) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.84 +/- 0.80   0.115% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.55 +/- 0.66   0.146% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.94 +/- 0.84   0.021% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.27 +/- 1.01   0.009% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.30 +/- 0.75   0.016% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.12 +/- 0.59   0.005% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  11.65 +/- 1.05   0.004% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  16.31 +/- 1.54   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.16 +/- 0.73   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  19.74 +/- 1.00   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.70 +/- 0.83   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  16.71 +/- 1.30   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  20.89 +/- 1.11   0.000% *  0.0647% (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 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.94, residual support = 73.2:
    * O T QG1   VAL   41 - QG2   VAL   41   2.04 +/- 0.05  81.479% * 91.1388% (1.00  10.0 10.00   3.96  74.04) =  98.817%  kept
          QG1   VAL   43 - QG2   VAL   41   3.12 +/- 0.72  11.378% *  7.7808% (0.95   1.0  1.00   1.81   2.00) =   1.178%  kept
          HG    LEU   31 - QG2   VAL   41   5.03 +/- 1.39   3.656% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   73 - QG2   VAL   41   4.22 +/- 1.24   3.242% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T QG2   VAL   18 - QG2   VAL   41   7.31 +/- 0.94   0.051% *  0.6965% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   8.05 +/- 1.04   0.036% *  0.1804% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.54 +/- 0.92   0.152% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.87 +/- 1.00   0.004% *  0.0590% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.17 +/- 0.94   0.001% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 89.4:
    * O T HB    VAL   42 - HA    VAL   42   2.89 +/- 0.20  94.838% * 97.8517% (0.87  10.0 10.00   4.21  89.39) =  99.995%  kept
          QB    LEU   98 - HA    VAL   42   5.05 +/- 0.47   4.121% *  0.0862% (0.76   1.0  1.00   0.02   0.76) =   0.004%
        T HB2   LYS+ 112 - HA    PHE   55   7.84 +/- 1.76   0.546% *  0.1824% (0.16   1.0 10.00   0.02   3.43) =   0.001%
          HB3   LEU   73 - HA    VAL   42   9.80 +/- 1.21   0.156% *  0.0903% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    VAL   42   8.51 +/- 0.90   0.192% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.33 +/- 2.30   0.060% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.20 +/- 0.66   0.019% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.93 +/- 0.81   0.013% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.88 +/- 0.38   0.022% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  13.48 +/- 0.71   0.011% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.76 +/- 0.89   0.001% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  13.70 +/- 1.33   0.010% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  19.61 +/- 1.07   0.001% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.48 +/- 1.76   0.001% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  16.45 +/- 1.66   0.004% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.60 +/- 1.50   0.001% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.49 +/- 1.04   0.001% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  19.89 +/- 1.21   0.001% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  22.43 +/- 0.91   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  23.57 +/- 1.29   0.000% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.90 +/- 1.72   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  29.93 +/- 2.80   0.000% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.95 +/- 1.44   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  31.23 +/- 1.16   0.000% *  0.0245% (0.22   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 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 89.4:
    * O T QG1   VAL   42 - HA    VAL   42   2.56 +/- 0.17  98.848% * 98.1799% (0.97  10.0 10.00   4.00  89.39) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   6.99 +/- 0.42   0.268% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.001%
        T QB    ALA   47 - HA    PHE   55   8.82 +/- 0.67   0.069% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.19 +/- 1.66   0.804% *  0.0164% (0.16   1.0  1.00   0.02   3.43) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.59 +/- 0.24   0.003% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  14.92 +/- 1.00   0.003% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  14.38 +/- 0.75   0.004% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  19.69 +/- 1.34   0.001% *  0.0699% (0.69   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 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.4:
    * O T QG2   VAL   42 - HA    VAL   42   2.38 +/- 0.42  99.444% * 99.6660% (0.80  10.0 10.00   4.00  89.39) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   6.66 +/- 1.12   0.552% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  16.57 +/- 1.10   0.002% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.14 +/- 1.34   0.002% *  0.0189% (0.15   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 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.21, residual support = 89.4:
    * O T HA    VAL   42 - HB    VAL   42   2.89 +/- 0.20  98.729% * 97.9628% (0.87  10.0 10.00   4.21  89.39) =  99.997%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.84 +/- 1.76   0.580% *  0.3914% (0.35   1.0 10.00   0.02   3.43) =   0.002%
          HA    GLN   17 - HB    VAL   42   9.44 +/- 1.62   0.178% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   LYS+ 112   7.60 +/- 1.13   0.479% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.76 +/- 0.89   0.001% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  19.61 +/- 1.07   0.001% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.23 +/- 0.58   0.012% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.99 +/- 0.51   0.006% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.94 +/- 1.49   0.008% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.08 +/- 1.72   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  17.96 +/- 1.39   0.002% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.02 +/- 1.70   0.002% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  24.78 +/- 1.87   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  33.90 +/- 1.07   0.000% *  0.0419% (0.37   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 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 = 0.792, support = 4.49, residual support = 104.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  80.079% * 65.1690% (0.84  10.0 10.00   4.21  89.39) =  89.102%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.74 +/- 0.26  19.499% * 32.7352% (0.42  10.0 10.00   6.74 231.85) =  10.898%  kept
          QB    ALA   64 - HB    VAL   42   5.47 +/- 0.85   0.417% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  12.89 +/- 1.46   0.002% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.84 +/- 0.51   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.55 +/- 0.91   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.06 +/- 1.56   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  16.10 +/- 1.19   0.000% *  0.0094% (0.12   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 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.12, residual support = 89.4:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.02  99.938% * 99.1635% (0.69  10.0 10.00   4.12  89.39) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   7.52 +/- 0.78   0.061% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.78 +/- 0.93   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.95 +/- 1.01   0.000% *  0.0565% (0.40   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 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.21, residual support = 89.4:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  99.301% * 96.3200% (0.84  10.0 10.00   4.21  89.39) =  99.999%  kept
          HG3   LYS+ 106 - QG1   VAL   42   7.34 +/- 1.17   0.317% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.26 +/- 0.63   0.191% *  0.0849% (0.74   1.0  1.00   0.02   0.76) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   8.21 +/- 1.88   0.090% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QG1   VAL   42   8.87 +/- 1.08   0.039% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  12.89 +/- 1.46   0.003% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.37 +/- 0.90   0.016% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.55 +/- 0.91   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   9.50 +/- 0.87   0.014% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  14.84 +/- 0.51   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.38 +/- 0.96   0.003% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.07 +/- 1.02   0.004% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.95 +/- 1.34   0.007% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  11.98 +/- 1.16   0.004% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  13.71 +/- 1.45   0.002% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.04 +/- 1.19   0.004% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  14.97 +/- 1.08   0.001% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  16.32 +/- 1.53   0.001% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  14.98 +/- 0.94   0.001% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.22 +/- 0.31   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  17.55 +/- 1.15   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.16 +/- 0.83   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  23.10 +/- 2.33   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.53 +/- 0.97   0.000% *  0.0733% (0.64   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 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 = 89.4:
    * O T QG2   VAL   42 - QG1   VAL   42   2.04 +/- 0.06  99.782% * 98.9960% (0.77  10.0 10.00   4.00  89.39) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   5.88 +/- 0.50   0.204% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.87 +/- 0.46   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   9.22 +/- 0.52   0.012% *  0.0691% (0.54   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 425 (4.44, 0.15, 20.83 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 89.4:
    * O T HA    VAL   42 - QG2   VAL   42   2.38 +/- 0.42  99.885% * 99.2010% (0.80  10.0 10.00   4.00  89.39) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   8.86 +/- 0.80   0.083% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  16.57 +/- 1.10   0.002% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.72 +/- 0.51   0.015% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.53 +/- 0.49   0.010% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  14.08 +/- 1.43   0.004% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.37 +/- 0.93   0.002% *  0.0372% (0.30   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 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.12, residual support = 89.4:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.02  99.117% * 98.4381% (0.69  10.0 10.00   4.12  89.39) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.16 +/- 0.65   0.602% *  0.0867% (0.61   1.0  1.00   0.02   0.76) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   42   7.90 +/- 2.19   0.146% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.51 +/- 1.25   0.082% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   9.46 +/- 1.25   0.023% *  0.0909% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.44 +/- 0.93   0.008% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.48 +/- 1.17   0.005% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  10.82 +/- 0.90   0.006% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.78 +/- 0.93   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.83 +/- 0.83   0.007% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.96 +/- 1.60   0.001% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  13.42 +/- 1.08   0.002% *  0.0350% (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 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 89.4:
    * O T QG1   VAL   42 - QG2   VAL   42   2.04 +/- 0.06  99.560% * 98.8869% (0.77  10.0 10.00   4.00  89.39) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.59 +/- 0.84   0.438% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.87 +/- 0.46   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  15.66 +/- 1.09   0.001% *  0.0704% (0.55   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 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 = 60.4:
    * O T HB    VAL   43 - HA    VAL   43   2.71 +/- 0.25  99.975% * 99.7401% (0.97  10.0 10.00   3.30  60.42) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.80 +/- 0.61   0.011% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.02 +/- 0.94   0.009% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  14.56 +/- 0.57   0.005% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 4.36, residual support = 60.4:
    * O T QG1   VAL   43 - HA    VAL   43   2.80 +/- 0.29  82.812% * 99.5406% (0.90  10.0 10.00   4.36  60.42) =  99.987%  kept
          QD2   LEU   73 - HA    VAL   43   4.50 +/- 1.56  15.813% *  0.0584% (0.53   1.0  1.00   0.02   1.30) =   0.011%
          QG1   VAL   41 - HA    VAL   43   6.78 +/- 0.36   0.478% *  0.1100% (0.99   1.0  1.00   0.02   2.00) =   0.001%
          QG2   VAL   18 - HA    VAL   43   6.78 +/- 0.65   0.530% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.47 +/- 0.93   0.151% *  0.0628% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   9.09 +/- 1.18   0.107% *  0.0762% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   9.34 +/- 0.63   0.069% *  0.0277% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.80 +/- 0.88   0.017% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.63 +/- 1.03   0.023% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.4:
    * O T QG2   VAL   43 - HA    VAL   43   2.35 +/- 0.48  99.408% * 98.9143% (0.69  10.0 10.00   3.00  60.42) =  99.996%  kept
        T QD2   LEU   31 - HA    VAL   43   6.60 +/- 0.68   0.349% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   83 - HA    VAL   43   7.35 +/- 1.09   0.242% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 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 = 60.4:
    * O T HA    VAL   43 - HB    VAL   43   2.71 +/- 0.25  99.960% * 99.8083% (0.97  10.0 10.00   3.30  60.42) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  12.31 +/- 1.24   0.015% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  11.15 +/- 0.60   0.023% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  15.41 +/- 0.62   0.003% *  0.0895% (0.87   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 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 = 3.71, residual support = 60.4:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  98.029% * 97.7514% (0.87  10.0 10.00   3.71  60.42) =  99.998%  kept
          QD2   LEU   73 - HB    VAL   43   5.41 +/- 1.80   1.831% *  0.0573% (0.51   1.0  1.00   0.02   1.30) =   0.001%
        T QG1   VAL   41 - HB    VAL   43   7.69 +/- 0.33   0.046% *  1.0803% (0.96   1.0 10.00   0.02   2.00) =   0.001%
        T QG2   VAL   18 - HB    VAL   43   8.76 +/- 0.64   0.022% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.71 +/- 0.80   0.025% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.54 +/- 1.02   0.031% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  11.70 +/- 1.22   0.005% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.82 +/- 0.86   0.007% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.91 +/- 1.09   0.004% *  0.0303% (0.27   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 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.4:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  98.200% * 98.9143% (0.66  10.0 10.00   2.89  60.42) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   6.48 +/- 0.46   0.135% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   5.72 +/- 1.30   1.665% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.88 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 = 4.36, residual support = 60.4:
    * O T HA    VAL   43 - QG1   VAL   43   2.80 +/- 0.29  99.812% * 99.8083% (0.90  10.0 10.00   4.36  60.42) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.57 +/- 0.70   0.141% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.27 +/- 0.94   0.029% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.01 +/- 0.57   0.018% *  0.0895% (0.80   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 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.71, residual support = 60.4:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.981% * 99.7401% (0.87  10.0 10.00   3.71  60.42) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.44 +/- 0.46   0.014% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  12.47 +/- 0.70   0.003% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.78 +/- 1.03   0.002% *  0.0544% (0.47   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 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 = 3.84, residual support = 60.4:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.04  97.509% * 98.9143% (0.62  10.0 10.00   3.84  60.42) =  99.986%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.45 +/- 0.42   1.231% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.013%
          QG2   VAL   83 - QG1   VAL   43   5.28 +/- 1.10   1.259% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.001%
    Distance limit 2.59 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 = 60.4:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.841% * 99.3815% (0.66  10.0 10.00   2.89  60.42) = 100.000%  kept
        T HB    VAL   43 - QD2   LEU   31   6.48 +/- 0.46   0.137% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.10 +/- 0.78   0.005% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  11.25 +/- 0.63   0.005% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.47 +/- 1.05   0.003% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  11.39 +/- 1.00   0.005% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.59 +/- 0.77   0.002% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.76 +/- 0.95   0.002% *  0.0155% (0.10   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 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.539, support = 4.15, residual support = 87.6:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.04  44.245% * 80.9559% (0.62  10.0 10.00   3.84  60.42) =  84.037%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.11 +/- 0.02  38.196% * 17.7908% (0.14  10.0 10.00   5.80 230.90) =  15.943%  kept
          QD2   LEU   73 - QG2   VAL   43   3.76 +/- 1.53  11.777% *  0.0475% (0.36   1.0  1.00   0.02   1.30) =   0.013%
        T QG1   VAL   43 - QD2   LEU   31   4.45 +/- 0.42   0.569% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.003%
          QG1   VAL   41 - QD2   LEU   31   4.19 +/- 0.92   2.838% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.002%
        T HG    LEU   31 - QG2   VAL   43   6.44 +/- 1.56   0.103% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   3.84 +/- 0.67   2.017% *  0.0136% (0.10   1.0  1.00   0.02   1.35) =   0.001%
          QG1   VAL   41 - QG2   VAL   43   5.91 +/- 0.73   0.097% *  0.0895% (0.68   1.0  1.00   0.02   2.00) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.02 +/- 0.96   0.046% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   43   7.37 +/- 0.69   0.027% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.35 +/- 1.10   0.015% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.51 +/- 0.40   0.049% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   8.80 +/- 0.73   0.009% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.58 +/- 1.10   0.003% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.94 +/- 0.98   0.005% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  11.23 +/- 0.86   0.002% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.76 +/- 1.23   0.003% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  15.09 +/- 0.99   0.000% *  0.0072% (0.05   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 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.67, residual support = 37.7:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.73 +/- 0.28  99.718% * 97.1917% (1.00  10.0 10.00   2.67  37.71) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.14 +/- 0.44   0.173% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44   9.80 +/- 0.82   0.068% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  11.59 +/- 1.10   0.025% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  16.69 +/- 1.16   0.002% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.91 +/- 1.43   0.002% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  13.20 +/- 0.59   0.010% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.81 +/- 1.94   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  17.85 +/- 0.70   0.002% *  0.0270% (0.28   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 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.7:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.56 +/- 0.18  98.516% * 98.4998% (1.00  10.0 10.00   4.00  37.71) =  99.998%  kept
          HB2   LEU   63 - HA    ASP-  44   5.88 +/- 1.22   1.212% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ASP-  44   9.38 +/- 0.63   0.045% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASP-  44   8.23 +/- 0.50   0.110% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.24 +/- 0.72   0.048% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.41 +/- 1.50   0.019% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44   9.99 +/- 1.23   0.038% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  15.31 +/- 1.96   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  15.11 +/- 0.73   0.003% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  16.76 +/- 0.79   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.42 +/- 0.64   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  16.08 +/- 1.01   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  19.89 +/- 0.69   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.67, residual support = 37.7:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.73 +/- 0.28  99.792% * 98.1053% (1.00  10.0 10.00   2.67  37.71) = 100.000%  kept
          HB    THR   77 - HB2   ASP-  44  10.93 +/- 0.67   0.032% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ASP-  44   8.69 +/- 1.10   0.148% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.15 +/- 0.87   0.009% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  18.03 +/- 1.33   0.002% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  13.99 +/- 0.66   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.44 +/- 0.58   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  15.82 +/- 0.66   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.97 +/- 2.15   0.000% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  16.95 +/- 0.93   0.002% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.98 +/- 0.64   0.002% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.76 +/- 2.00   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (2.27, 2.27, 38.87 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  44 - HB2   ASP-  44  (1.00)  kept
 
    Peak 450 (1.34, 2.27, 38.87 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 37.7:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  98.362% * 99.2040% (1.00  10.0 10.00   2.61  37.71) =  99.998%  kept
          HB2   LEU   63 - HB2   ASP-  44   4.52 +/- 1.29   1.626% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HB2   ASP-  44   9.50 +/- 0.72   0.004% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  10.47 +/- 0.91   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.74 +/- 0.57   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.14 +/- 1.41   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.08 +/- 1.46   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  16.03 +/- 0.96   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.60 +/- 0.93   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.98 +/- 1.92   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  15.69 +/- 1.00   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.80 +/- 1.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  19.89 +/- 0.86   0.000% *  0.0338% (0.34   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 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 37.7:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.56 +/- 0.18  99.745% * 99.3093% (1.00  10.0 10.00   4.00  37.71) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.52 +/- 0.97   0.208% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  10.19 +/- 0.66   0.030% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.72 +/- 0.75   0.004% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  13.75 +/- 0.56   0.005% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  16.05 +/- 0.67   0.002% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.72 +/- 0.62   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  17.03 +/- 0.40   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.95 +/- 0.66   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.18 +/- 1.29   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.89 +/- 1.88   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  28.09 +/- 2.06   0.000% *  0.0991% (1.00   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 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 37.7:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.984% * 99.4398% (1.00  10.0 10.00   2.61  37.71) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   8.65 +/- 0.62   0.008% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44   9.31 +/- 1.12   0.006% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.62 +/- 1.50   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  16.35 +/- 1.18   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.12 +/- 1.52   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  13.66 +/- 0.81   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.51 +/- 0.89   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  25.01 +/- 2.01   0.000% *  0.0603% (0.61   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 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HA    PHE   45   2.98 +/- 0.20  99.925% * 99.8680% (1.00  10.0 10.00   3.31  80.36) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45  10.52 +/- 1.11   0.072% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  16.49 +/- 0.77   0.004% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.4:
    * O T HB3   PHE   45 - HA    PHE   45   2.62 +/- 0.20  99.935% * 99.6736% (1.00  10.0 10.00   4.00  80.36) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.42 +/- 1.33   0.033% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.06 +/- 0.87   0.016% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.92 +/- 1.78   0.003% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  12.03 +/- 0.66   0.012% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  18.90 +/- 0.81   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  19.03 +/- 0.66   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HA    PHE   45 - HB2   PHE   45   2.98 +/- 0.20  99.985% * 99.9145% (1.00  10.0 10.00   3.31  80.36) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.68 +/- 0.52   0.012% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  17.42 +/- 1.01   0.003% *  0.0249% (0.25   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 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.986% * 99.6736% (1.00  10.0 10.00   3.31  80.36) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.64 +/- 1.58   0.011% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  11.66 +/- 0.97   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.79 +/- 1.66   0.000% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  12.66 +/- 1.02   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  20.54 +/- 0.99   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  20.03 +/- 0.67   0.000% *  0.0222% (0.22   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 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.4:
    * O T HA    PHE   45 - HB3   PHE   45   2.62 +/- 0.20  99.994% * 99.9145% (1.00  10.0 10.00   4.00  80.36) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.13 +/- 0.36   0.005% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  18.37 +/- 0.76   0.001% *  0.0249% (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 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.4:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.999% * 99.8680% (1.00  10.0 10.00   3.31  80.36) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  12.42 +/- 1.23   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  15.18 +/- 1.07   0.000% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.57 +/- 0.14  99.990% * 98.0423% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.01 +/- 0.96   0.007% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  16.94 +/- 1.11   0.002% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.93 +/- 1.26   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  25.60 +/- 2.11   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.13 +/- 2.12   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.92 +/- 2.25   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  31.60 +/- 0.96   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  33.63 +/- 1.98   0.000% *  0.0384% (0.39   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 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   3.00 +/- 0.29  98.908% * 97.3989% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          QG1   VAL   41 - HA    SER   37   7.60 +/- 0.36   0.442% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   13   8.80 +/- 1.07   0.249% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37   9.56 +/- 0.96   0.136% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46  10.54 +/- 1.06   0.077% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    THR   46  10.10 +/- 0.41   0.076% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.34 +/- 1.08   0.026% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.49 +/- 0.58   0.014% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  14.32 +/- 0.91   0.010% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.68 +/- 0.92   0.012% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.69 +/- 1.04   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  21.19 +/- 1.95   0.001% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  15.89 +/- 0.71   0.005% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.20 +/- 0.35   0.007% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.30 +/- 1.22   0.011% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.40 +/- 0.51   0.014% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.73 +/- 0.97   0.003% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  18.23 +/- 0.75   0.002% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.79 +/- 0.78   0.003% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.64 +/- 1.41   0.001% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.42 +/- 1.35   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   2.57 +/- 0.14  99.672% * 98.0777% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    PRO   58 - HB    THR   46   7.96 +/- 1.50   0.318% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.24 +/- 0.81   0.006% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  16.00 +/- 1.76   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.93 +/- 1.26   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  25.60 +/- 2.11   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  20.26 +/- 1.50   0.000% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.54 +/- 0.96   0.001% *  0.0440% (0.45   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 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  99.958% * 99.5878% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   9.20 +/- 1.41   0.030% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46  10.24 +/- 0.66   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  14.69 +/- 1.21   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.86 +/- 0.95   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.30 +/- 1.03   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  17.46 +/- 1.20   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 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.00 +/- 0.29  98.931% * 98.0777% (1.00  10.0 10.00   3.00  34.51) =  99.999%  kept
          HA    PRO   58 - QG2   THR   46   7.41 +/- 1.41   1.009% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - QG2   THR   46  11.48 +/- 1.00   0.034% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  13.58 +/- 1.54   0.016% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.69 +/- 1.04   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  21.19 +/- 1.95   0.001% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  16.91 +/- 1.37   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.69 +/- 1.05   0.004% *  0.0440% (0.45   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 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  99.996% * 99.8459% (1.00  10.0 10.00   3.00  34.51) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.18 +/- 1.31   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  14.96 +/- 1.32   0.001% *  0.0895% (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 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.9:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.994% * 99.0048% (0.95  10.0 10.00   2.00  10.94) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.94 +/- 0.79   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  12.16 +/- 0.67   0.003% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.93 +/- 1.39   0.000% *  0.0551% (0.53   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 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.918, support = 2.04, residual support = 10.7:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  51.749% * 93.2960% (0.95  10.0 10.00   2.00  10.94) =  94.692%  kept
          HA    CYS   50 - QB    ALA   47   2.20 +/- 0.31  47.840% *  5.6570% (0.42   1.0  1.00   2.70   7.32) =   5.308%  kept
          HA    TRP   49 - QB    ALA   47   4.86 +/- 0.15   0.364% *  0.0259% (0.26   1.0  1.00   0.02  14.90) =   0.000%
          HA1   GLY  109 - QB    ALA   47   9.63 +/- 1.71   0.026% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.25 +/- 0.87   0.009% *  0.0914% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.94 +/- 0.79   0.001% *  0.7146% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   9.88 +/- 0.84   0.007% *  0.0700% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.26 +/- 0.94   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.30 +/- 0.86   0.001% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  12.57 +/- 0.72   0.001% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.54 +/- 0.90   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.83 +/- 0.80   0.000% *  0.0199% (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 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 = 1.82, residual support = 9.66:
    * O T QB    SER   48 - HA    SER   48   2.31 +/- 0.08  99.149% * 96.0221% (1.00  10.0 10.00   1.82   9.66) =  99.999%  kept
        T QB    SER   85 - HB2   SER   82   5.65 +/- 0.21   0.486% *  0.2561% (0.27   1.0 10.00   0.02   2.96) =   0.001%
          HA2   GLY   16 - HA    VAL   70   7.40 +/- 1.72   0.283% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  11.91 +/- 1.21   0.007% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    SER   48   9.02 +/- 0.18   0.029% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  13.57 +/- 1.63   0.003% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  11.78 +/- 0.99   0.007% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.29 +/- 0.89   0.017% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  16.05 +/- 1.49   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.21 +/- 0.82   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  13.95 +/- 0.91   0.002% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  13.10 +/- 1.51   0.004% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  14.34 +/- 1.82   0.003% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  13.24 +/- 1.26   0.003% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  25.88 +/- 1.63   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  22.20 +/- 0.72   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  18.44 +/- 1.52   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  21.90 +/- 1.01   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  25.78 +/- 0.95   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.79 +/- 1.08   0.004% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.17 +/- 0.55   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  24.95 +/- 1.21   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  21.93 +/- 1.40   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  26.11 +/- 0.97   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  19.61 +/- 1.40   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  23.72 +/- 0.95   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  26.91 +/- 1.54   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  29.69 +/- 1.34   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  30.59 +/- 1.28   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  27.51 +/- 0.69   0.000% *  0.0196% (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 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 85.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.36 +/- 0.10  99.648% * 96.9997% (1.00  10.0 10.00   3.89  85.29) =  99.997%  kept
        T HB2   TRP   49 - HA    CYS   50   6.21 +/- 0.18   0.332% *  0.9143% (0.94   1.0 10.00   0.02   2.75) =   0.003%
        T HA2   GLY  109 - HA    CYS   50  12.82 +/- 2.00   0.008% *  0.7321% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  16.32 +/- 1.87   0.001% *  0.7767% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  14.16 +/- 0.92   0.003% *  0.0865% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  15.48 +/- 1.23   0.001% *  0.0918% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  17.58 +/- 1.05   0.001% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.40 +/- 0.77   0.003% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  18.91 +/- 1.11   0.000% *  0.0906% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  15.59 +/- 0.65   0.001% *  0.0131% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  22.63 +/- 1.02   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  23.86 +/- 1.06   0.000% *  0.0961% (0.99   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 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 84.6:
    * O T HB3   TRP   49 - HA    TRP   49   2.50 +/- 0.13  99.134% * 51.4295% (0.84  10.0 10.00   3.89  85.29) =  99.193%  kept
        T HB3   TRP   49 - HA    CYS   50   5.63 +/- 0.22   0.856% * 48.4748% (0.79   1.0 10.00   3.21   2.75) =   0.807%  kept
          HB3   PHE   59 - HA    CYS   50  12.04 +/- 0.74   0.009% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.16 +/- 0.72   0.001% *  0.0493% (0.80   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 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 85.3:
    * O T HA    TRP   49 - HB2   TRP   49   2.36 +/- 0.10  99.459% * 97.9260% (1.00  10.0 10.00   3.89  85.29) =  99.997%  kept
        T HA    CYS   50 - HB2   TRP   49   6.21 +/- 0.18   0.331% *  0.9263% (0.95   1.0 10.00   0.02   2.75) =   0.003%
          HA    ALA   47 - HB2   TRP   49   6.77 +/- 0.35   0.207% *  0.0272% (0.28   1.0  1.00   0.02  14.90) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  16.01 +/- 2.02   0.002% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.47 +/- 1.24   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  21.64 +/- 1.46   0.000% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.32 +/- 1.04   0.000% *  0.0633% (0.65   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 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 = 85.3:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  85.29) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.99 +/- 0.74   0.000% *  0.0958% (0.80   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 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 85.3:
    * O T HA    TRP   49 - HB3   TRP   49   2.50 +/- 0.13  98.941% * 98.7661% (0.84  10.0 10.00   3.89  85.29) =  99.992%  kept
        T HA    CYS   50 - HB3   TRP   49   5.63 +/- 0.22   0.854% *  0.9343% (0.79   1.0 10.00   0.02   2.75) =   0.008%
          HA    ALA   47 - HB3   TRP   49   7.20 +/- 0.30   0.201% *  0.0275% (0.23   1.0  1.00   0.02  14.90) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  15.61 +/- 1.88   0.002% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.27 +/- 1.06   0.001% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  22.44 +/- 1.38   0.000% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.67 +/- 0.84   0.000% *  0.0639% (0.54   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 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 85.3:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 99.6151% (0.84  10.0 10.00   3.00  85.29) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  15.11 +/- 1.81   0.000% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  15.81 +/- 1.25   0.000% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  22.87 +/- 1.11   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  16.93 +/- 0.62   0.000% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  23.75 +/- 1.12   0.000% *  0.0987% (0.83   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 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 = 1.6, residual support = 7.04:
    * O T QB    CYS   50 - HA    CYS   50   2.25 +/- 0.10  97.911% * 51.3514% (1.00  10.0 10.00   1.57   7.12) =  98.139%  kept
        T QB    CYS   50 - HA    TRP   49   4.48 +/- 0.32   1.969% * 48.4012% (0.94   1.0 10.00   3.19   2.75) =   1.860%  kept
          HB3   ASP-  78 - HA    TRP   49   8.60 +/- 2.17   0.060% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50   8.93 +/- 2.25   0.050% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  12.03 +/- 1.61   0.008% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  14.64 +/- 1.75   0.002% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  19.53 +/- 1.23   0.000% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  25.69 +/- 1.34   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  22.96 +/- 1.21   0.000% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  30.02 +/- 1.25   0.000% *  0.0388% (0.75   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 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.57, residual support = 7.12:
    * O T HA    CYS   50 - QB    CYS   50   2.25 +/- 0.10  97.639% * 98.7658% (1.00  10.0 10.00   1.57   7.12) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.48 +/- 0.32   1.963% *  0.9343% (0.95   1.0 10.00   0.02   2.75) =   0.019%
          HA    ALA   47 - QB    CYS   50   5.75 +/- 0.35   0.391% *  0.0443% (0.45   1.0  1.00   0.02   7.32) =   0.000%
          HA1   GLY  109 - QB    CYS   50  13.86 +/- 1.99   0.004% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  13.54 +/- 1.21   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  17.28 +/- 1.28   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  25.39 +/- 0.95   0.000% *  0.0443% (0.45   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 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 = 7.06, residual support = 223.3:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  93.920% * 99.8323% (1.00  10.0 10.00   7.06 223.26) =  99.998%  kept
          HA    ALA   91 - HD2   PRO   52   7.86 +/- 2.34   5.917% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HD2   PRO   52  12.96 +/- 1.65   0.124% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.08 +/- 1.20   0.036% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  22.24 +/- 1.40   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.14 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 223.3:
    * O T HB2   PRO   52 - HD2   PRO   52   3.89 +/- 0.07  99.968% * 99.5699% (1.00  10.0 10.00   6.53 223.26) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  19.39 +/- 1.19   0.007% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  16.08 +/- 1.33   0.025% *  0.0564% (0.57   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 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.3:
    * O T HB3   PRO   52 - HD2   PRO   52   4.00 +/- 0.07  92.531% * 98.1836% (1.00  10.0 10.00   6.61 223.26) =  99.997%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.60 +/- 0.64   5.515% *  0.0368% (0.38   1.0  1.00   0.02   1.75) =   0.002%
          HG2   PRO   93 - HD2   PRO   52   8.92 +/- 1.56   1.476% *  0.0303% (0.31   1.0  1.00   0.02   0.71) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  13.10 +/- 1.55   0.116% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  11.57 +/- 2.25   0.332% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.32 +/- 1.09   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  18.13 +/- 1.01   0.012% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.31 +/- 1.35   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.39 +/- 1.27   0.003% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  23.78 +/- 1.29   0.002% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.78 +/- 1.08   0.005% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.78 +/- 1.21   0.002% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  25.54 +/- 1.26   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.35 +/- 0.94   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.08 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.3:
    * O T HG2   PRO   52 - HD2   PRO   52   2.33 +/- 0.12  99.626% * 99.6094% (1.00  10.0 10.00   6.46 223.26) = 100.000%  kept
          HG2   MET   92 - HD2   PRO   52   6.87 +/- 1.26   0.360% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  14.93 +/- 2.20   0.003% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  13.96 +/- 1.66   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.23 +/- 1.55   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.61 +/- 1.45   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.57 +/- 1.55   0.000% *  0.0644% (0.65   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 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.3:
    * O T HG3   PRO   52 - HD2   PRO   52   2.84 +/- 0.12  99.779% * 98.5427% (1.00  10.0 10.00   6.46 223.26) = 100.000%  kept
        T HG2   PRO   58 - HD2   PRO   52  12.21 +/- 1.31   0.022% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   52   9.13 +/- 1.61   0.198% *  0.0304% (0.31   1.0  1.00   0.02   0.71) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  27.32 +/- 1.14   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.94 +/- 1.72   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  30.70 +/- 3.07   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  27.00 +/- 1.01   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  38.76 +/- 4.36   0.000% *  0.0966% (0.98   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 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 223.3:
    * O T HB2   PRO   52 - HA    PRO   52   2.65 +/- 0.17  99.997% * 99.5699% (1.00  10.0 10.00   5.16 223.26) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  20.48 +/- 1.56   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.68 +/- 1.02   0.003% *  0.0564% (0.57   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 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 223.3:
    * O T HB3   PRO   52 - HA    PRO   52   2.39 +/- 0.17  96.146% * 99.2796% (1.00  10.0 10.00   6.13 223.26) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   5.09 +/- 1.21   3.735% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.001%
          HG2   PRO   93 - HA    PRO   52   8.04 +/- 1.68   0.112% *  0.0306% (0.31   1.0  1.00   0.02   0.71) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  16.22 +/- 1.68   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  13.85 +/- 1.90   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.90 +/- 0.97   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.84 +/- 1.12   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.27 +/- 1.59   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.42 +/- 1.41   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  25.14 +/- 1.40   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.45 +/- 1.54   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  25.44 +/- 1.33   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.92 +/- 1.24   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  28.19 +/- 1.24   0.000% *  0.0248% (0.25   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 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.3:
    * O T HG2   PRO   52 - HA    PRO   52   3.97 +/- 0.02  94.681% * 99.6094% (1.00  10.0 10.00   5.98 223.26) =  99.996%  kept
          HG2   MET   92 - HA    PRO   52   7.32 +/- 1.45   5.044% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HA    PRO   52  12.43 +/- 1.76   0.140% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.49 +/- 1.15   0.122% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  18.27 +/- 2.03   0.013% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.87 +/- 1.40   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  36.40 +/- 1.48   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.37 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.3:
    * O T HG3   PRO   52 - HA    PRO   52   3.88 +/- 0.02  98.654% * 98.7160% (1.00  10.0 10.00   5.97 223.26) =  99.997%  kept
        T HG2   PRO   58 - HA    PRO   52  10.92 +/- 1.17   0.262% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.003%
          HB2   PRO   93 - HA    PRO   52   8.91 +/- 1.56   1.080% *  0.0305% (0.31   1.0  1.00   0.02   0.71) =   0.000%
          HB2   GLU-  14 - HA    PRO   52  32.37 +/- 2.80   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  27.06 +/- 0.89   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.18 +/- 1.77   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  29.39 +/- 1.18   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  40.37 +/- 4.30   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.75 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 223.3:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.747% * 99.4673% (1.00  10.0 10.00   7.06 223.26) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.22 +/- 0.48   0.206% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  18.08 +/- 2.12   0.016% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  18.23 +/- 1.49   0.013% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  21.03 +/- 0.88   0.005% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  22.42 +/- 1.72   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.88 +/- 0.98   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  23.36 +/- 1.36   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  32.50 +/- 1.35   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  29.27 +/- 1.60   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  31.31 +/- 1.27   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  33.34 +/- 1.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.75 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.16, residual support = 223.3:
    * O T HA    PRO   52 - HB2   PRO   52   2.65 +/- 0.17  99.385% * 99.4915% (1.00  10.0 10.00   5.16 223.26) = 100.000%  kept
          HA    ALA   91 - HB2   PRO   52   7.92 +/- 1.90   0.432% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB2   PRO   52   9.61 +/- 2.07   0.098% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.84 +/- 1.09   0.055% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.59 +/- 2.06   0.015% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  20.48 +/- 1.56   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  13.00 +/- 1.17   0.009% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.43 +/- 0.91   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  17.49 +/- 1.16   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  23.41 +/- 2.24   0.000% *  0.0523% (0.53   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 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 = 6.18, residual support = 223.3:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  94.714% * 98.7825% (1.00  10.0 10.00   6.18 223.26) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   3.53 +/- 0.89   4.810% *  0.0260% (0.26   1.0  1.00   0.02  10.06) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   6.31 +/- 2.18   0.228% *  0.0305% (0.31   1.0  1.00   0.02   0.71) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.43 +/- 0.80   0.166% *  0.0119% (0.12   1.0  1.00   0.02  10.06) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.12 +/- 1.11   0.039% *  0.0371% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.86 +/- 1.24   0.020% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.46 +/- 1.15   0.011% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  15.05 +/- 2.06   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   8.60 +/- 0.81   0.008% *  0.0045% (0.05   1.0  1.00   0.02   0.22) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  12.11 +/- 1.85   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  19.23 +/- 1.67   0.000% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  15.20 +/- 1.20   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  17.49 +/- 1.39   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.75 +/- 0.84   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.18 +/- 0.95   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  21.26 +/- 2.25   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  21.41 +/- 1.21   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.76 +/- 2.08   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.62 +/- 0.98   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.85 +/- 1.36   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  17.37 +/- 1.75   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  19.43 +/- 1.19   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.46 +/- 2.37   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.37 +/- 2.22   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  24.66 +/- 1.83   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  22.42 +/- 1.28   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.13 +/- 1.87   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.90 +/- 2.12   0.000% *  0.0246% (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 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.3:
    * O T HG2   PRO   52 - HB2   PRO   52   2.46 +/- 0.27  95.895% * 99.2053% (1.00  10.0 10.00   6.10 223.26) =  99.997%  kept
          HG2   MET   92 - HB2   PRO   52   5.53 +/- 1.61   4.056% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.003%
          QG    GLU- 114 - HB2   PRO   52  11.22 +/- 2.08   0.021% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.37 +/- 1.39   0.012% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.95 +/- 1.61   0.001% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  12.89 +/- 1.38   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.27 +/- 2.63   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.17 +/- 0.96   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.96 +/- 1.23   0.002% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.30 +/- 1.46   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.80 +/- 1.07   0.000% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.46 +/- 2.14   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.46 +/- 0.93   0.001% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  34.91 +/- 2.37   0.000% *  0.0642% (0.65   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 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.3:
    * O T HG3   PRO   52 - HB2   PRO   52   2.68 +/- 0.21  99.126% * 98.0617% (1.00  10.0 10.00   6.09 223.26) =  99.999%  kept
        T HG2   PRO   58 - HB2   PRO   52  11.38 +/- 1.39   0.026% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   52   7.25 +/- 2.14   0.823% *  0.0303% (0.31   1.0  1.00   0.02   0.71) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  19.07 +/- 1.95   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.36 +/- 1.05   0.001% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.37 +/- 0.84   0.012% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.59 +/- 1.20   0.005% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  15.41 +/- 1.71   0.004% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  18.41 +/- 1.07   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  23.00 +/- 1.62   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.69 +/- 2.42   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.28 +/- 1.52   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  31.62 +/- 3.20   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  27.90 +/- 2.00   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  39.85 +/- 4.29   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.99 +/- 1.82   0.000% *  0.0282% (0.29   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 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.53, residual support = 223.3:
    * O T HD2   PRO   52 - HB2   PRO   52   3.89 +/- 0.07  99.291% * 99.0230% (1.00  10.0 10.00   6.53 223.26) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  10.98 +/- 1.04   0.228% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  12.46 +/- 1.53   0.125% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.07 +/- 2.35   0.029% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  19.39 +/- 1.19   0.007% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  13.06 +/- 1.44   0.094% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.80 +/- 1.23   0.038% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  16.63 +/- 1.85   0.020% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.34 +/- 0.86   0.044% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  16.28 +/- 1.77   0.028% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  20.61 +/- 1.65   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  17.61 +/- 0.77   0.012% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  20.92 +/- 2.30   0.005% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.27 +/- 1.00   0.007% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.42 +/- 1.42   0.020% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  19.22 +/- 1.48   0.008% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.27 +/- 1.01   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  22.38 +/- 2.08   0.003% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.02 +/- 1.08   0.016% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.75 +/- 1.09   0.012% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  30.75 +/- 2.28   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  28.44 +/- 2.16   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  29.73 +/- 2.21   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.81 +/- 2.31   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 223.3:
    * O T HA    PRO   52 - HB3   PRO   52   2.39 +/- 0.17  99.186% * 99.6990% (1.00  10.0 10.00   6.13 223.26) = 100.000%  kept
          HA    ALA   91 - HB3   PRO   52   7.84 +/- 1.91   0.684% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HB3   PRO   52   9.79 +/- 1.72   0.101% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  16.22 +/- 1.68   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.25 +/- 1.20   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  10.42 +/- 1.40   0.019% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  12.94 +/- 0.53   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  24.22 +/- 1.57   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.71 +/- 1.22   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.06 +/- 1.12   0.001% *  0.0023% (0.02   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 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.18, residual support = 223.3:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.18 223.26) = 100.000%  kept
        T HB2   PRO   52 - QB    LYS+  81  15.05 +/- 2.06   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  19.23 +/- 1.67   0.000% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  15.20 +/- 1.20   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  16.53 +/- 1.29   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  20.67 +/- 0.89   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.15, residual support = 223.3:
    * O T HG2   PRO   52 - HB3   PRO   52   2.79 +/- 0.28  92.707% * 99.4355% (1.00  10.0 10.00   6.15 223.26) =  99.995%  kept
          HG2   MET   92 - HB3   PRO   52   5.48 +/- 1.38   6.750% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB2   GLU-  79 - QB    LYS+  81   7.05 +/- 0.43   0.436% *  0.0091% (0.09   1.0  1.00   0.02   1.54) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  13.08 +/- 1.84   0.019% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  11.62 +/- 1.72   0.028% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.01 +/- 2.37   0.040% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.86 +/- 2.31   0.002% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.74 +/- 1.27   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  13.72 +/- 1.03   0.008% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  20.00 +/- 1.45   0.001% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.52 +/- 1.34   0.001% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.05 +/- 1.62   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  35.83 +/- 1.70   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.18 +/- 0.89   0.000% *  0.0074% (0.07   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 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.3:
    * O T HG3   PRO   52 - HB3   PRO   52   2.44 +/- 0.23  99.745% * 98.1909% (1.00  10.0 10.00   6.14 223.26) = 100.000%  kept
        T HB2   PRO   93 - HB3   PRO   52   8.11 +/- 1.30   0.109% *  0.3031% (0.31   1.0 10.00   0.02   0.71) =   0.000%
        T HG2   PRO   58 - HB3   PRO   52  12.19 +/- 1.30   0.013% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  13.59 +/- 2.16   0.006% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.22 +/- 0.81   0.122% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  20.08 +/- 1.12   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.76 +/- 0.97   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.25 +/- 2.03   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  32.62 +/- 3.00   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.32 +/- 1.09   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.51 +/- 0.77   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.80 +/- 1.54   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  40.81 +/- 4.39   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  28.63 +/- 1.39   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.09 +/- 2.89   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  26.25 +/- 0.72   0.000% *  0.0042% (0.04   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 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 223.3:
    * O T HD2   PRO   52 - HB3   PRO   52   4.00 +/- 0.07  53.135% * 97.9761% (1.00  10.0 10.00   6.61 223.26) =  99.996%  kept
          HB2   SER   82 - QB    LYS+  81   4.50 +/- 0.30  28.561% *  0.0038% (0.04   1.0  1.00   0.02  12.86) =   0.002%
          QB    SER   85 - QB    LYS+  81   5.08 +/- 0.62  16.572% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   48 - HB3   PRO   52  11.31 +/- 0.77   0.118% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  13.10 +/- 1.55   0.072% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.47 +/- 0.77   0.669% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81   9.24 +/- 1.51   0.804% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  16.22 +/- 2.20   0.021% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  16.77 +/- 1.63   0.013% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.12 +/- 0.91   0.003% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.25 +/- 0.73   0.008% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  31.58 +/- 1.62   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  21.63 +/- 0.91   0.002% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  21.25 +/- 1.96   0.003% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  30.50 +/- 1.52   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  21.13 +/- 1.22   0.003% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  23.38 +/- 1.69   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  21.89 +/- 0.62   0.002% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  32.72 +/- 1.60   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.16 +/- 0.91   0.006% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  20.68 +/- 1.03   0.003% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  29.48 +/- 1.88   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  24.99 +/- 1.00   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  26.22 +/- 0.85   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.77 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.3:
    * O T HA    PRO   52 - HG2   PRO   52   3.97 +/- 0.02  87.834% * 99.8323% (1.00  10.0 10.00   5.98 223.26) =  99.996%  kept
          HA    ALA   91 - HG2   PRO   52   6.60 +/- 1.90  11.670% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   52  11.31 +/- 1.80   0.416% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   52  13.26 +/- 1.35   0.076% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  21.97 +/- 1.86   0.004% *  0.0525% (0.53   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 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.3:
    * O T HB2   PRO   52 - HG2   PRO   52   2.46 +/- 0.27  99.997% * 99.5699% (1.00  10.0 10.00   6.10 223.26) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.95 +/- 1.61   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  16.02 +/- 1.28   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.15, residual support = 223.3:
    * O T HB3   PRO   52 - HG2   PRO   52   2.79 +/- 0.28  98.267% * 99.2796% (1.00  10.0 10.00   6.15 223.26) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   7.13 +/- 1.62   1.341% *  0.0306% (0.31   1.0  1.00   0.02   0.71) =   0.000%
          HG2   ARG+  54 - HG2   PRO   52   7.74 +/- 0.67   0.282% *  0.0373% (0.38   1.0  1.00   0.02   1.75) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  13.08 +/- 1.84   0.020% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  10.57 +/- 1.79   0.083% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  17.86 +/- 1.13   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  20.89 +/- 1.55   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.22 +/- 1.30   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.54 +/- 1.07   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.83 +/- 1.74   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.12 +/- 1.47   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  24.98 +/- 1.37   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  25.93 +/- 1.78   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.95 +/- 1.21   0.000% *  0.0153% (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 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 223.3:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.965% * 98.7160% (1.00  10.0 10.00   5.99 223.26) = 100.000%  kept
        T HG2   PRO   58 - HG2   PRO   52  12.30 +/- 1.24   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   PRO   52   7.63 +/- 1.62   0.034% *  0.0305% (0.31   1.0  1.00   0.02   0.71) =   0.000%
          HB    VAL   24 - HG2   PRO   52  20.78 +/- 2.13   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  30.85 +/- 3.08   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  26.51 +/- 1.18   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.79 +/- 1.57   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  39.09 +/- 4.21   0.000% *  0.0968% (0.98   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 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.3:
    * O T HD2   PRO   52 - HG2   PRO   52   2.33 +/- 0.12  99.948% * 99.4673% (1.00  10.0 10.00   6.46 223.26) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   8.94 +/- 1.05   0.046% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  14.62 +/- 2.05   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  14.98 +/- 1.47   0.002% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  18.85 +/- 1.98   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  20.43 +/- 1.34   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  21.66 +/- 1.83   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.40 +/- 0.92   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.65 +/- 1.75   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  28.13 +/- 1.94   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.29 +/- 1.77   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.78 +/- 1.87   0.000% *  0.0153% (0.15   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 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.2:
    * O T HA    PRO   52 - HG3   PRO   52   3.88 +/- 0.02  87.565% * 98.8988% (1.00  10.0 10.00   5.97 223.26) =  99.993%  kept
          HA    ALA   91 - HG3   PRO   52   6.79 +/- 2.20  11.604% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.004%
        T HA    PRO   52 - HG2   PRO   58  10.92 +/- 1.17   0.232% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52  11.66 +/- 1.88   0.304% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   PRO   58  12.38 +/- 2.24   0.169% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  13.81 +/- 1.74   0.061% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.16 +/- 1.46   0.043% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  16.51 +/- 1.40   0.017% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.25 +/- 2.15   0.002% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.81 +/- 0.76   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.27 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.3:
    * O T HB2   PRO   52 - HG3   PRO   52   2.68 +/- 0.21  98.721% * 98.4337% (1.00  10.0 10.00   6.09 223.26) =  99.999%  kept
          HB2   ASP-  62 - HG2   PRO   58   5.95 +/- 0.91   1.250% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   PRO   52 - HG2   PRO   58  11.38 +/- 1.39   0.026% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  19.07 +/- 1.95   0.001% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.36 +/- 1.05   0.001% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.38 +/- 1.68   0.002% *  0.0557% (0.57   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 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.3:
    * O T HB3   PRO   52 - HG3   PRO   52   2.44 +/- 0.23  99.525% * 97.4419% (1.00  10.0 10.00   6.14 223.26) =  99.999%  kept
        T HG2   PRO   93 - HG3   PRO   52   8.03 +/- 1.64   0.135% *  0.3008% (0.31   1.0 10.00   0.02   0.71) =   0.000%
        T HB3   PRO   52 - HG2   PRO   58  12.19 +/- 1.30   0.013% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  11.02 +/- 1.46   0.018% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.19 +/- 0.81   0.107% *  0.0366% (0.38   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.19 +/- 1.54   0.098% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58   9.50 +/- 1.09   0.043% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  13.59 +/- 2.16   0.006% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.81 +/- 2.17   0.045% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.97 +/- 0.88   0.005% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  20.08 +/- 1.12   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  16.61 +/- 1.70   0.001% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.11 +/- 1.41   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.65 +/- 1.77   0.001% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.99 +/- 1.73   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.45 +/- 1.42   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.69 +/- 1.28   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.19 +/- 0.94   0.000% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.33 +/- 1.56   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  24.18 +/- 2.07   0.000% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  19.83 +/- 1.53   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  23.12 +/- 1.67   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.08 +/- 1.38   0.000% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.40 +/- 1.66   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.44 +/- 0.71   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  23.59 +/- 1.05   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.16 +/- 2.05   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.89 +/- 1.42   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.984, support = 5.96, residual support = 221.8:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.260% * 86.8129% (1.00  10.0 10.00   5.99 223.26) =  98.142%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  13.067% * 10.8440% (0.12  10.0 10.00   4.29 146.97) =   1.857%  kept
          HG2   MET   92 - HG3   PRO   52   5.30 +/- 1.43   0.669% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.30 +/- 1.24   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  12.14 +/- 2.05   0.001% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.71 +/- 1.63   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.91 +/- 1.87   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  16.43 +/- 2.80   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.54 +/- 1.52   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.01 +/- 1.30   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.55 +/- 1.31   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.37 +/- 2.24   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.59 +/- 2.11   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.88 +/- 0.81   0.000% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.46, residual support = 223.3:
    * O T HD2   PRO   52 - HG3   PRO   52   2.84 +/- 0.12  99.845% * 96.1754% (1.00  10.0 10.00   6.46 223.26) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.21 +/- 1.31   0.022% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52   9.79 +/- 1.18   0.077% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  14.99 +/- 2.45   0.009% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.66 +/- 0.65   0.014% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  14.86 +/- 1.51   0.006% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.37 +/- 1.88   0.006% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.78 +/- 0.76   0.013% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.90 +/- 2.11   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.61 +/- 0.68   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  17.34 +/- 1.07   0.002% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  19.57 +/- 2.35   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  22.87 +/- 1.33   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  21.90 +/- 1.61   0.001% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  21.29 +/- 1.55   0.001% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.52 +/- 2.08   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.17 +/- 0.79   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.27 +/- 0.99   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.12 +/- 0.77   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  23.16 +/- 2.23   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.54 +/- 1.10   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.14 +/- 2.18   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  25.37 +/- 0.97   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  29.63 +/- 2.34   0.000% *  0.0468% (0.49   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 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.9:
    * O T HB2   CYS   53 - HA    CYS   53   2.88 +/- 0.13  88.540% * 99.5207% (1.00  10.0 10.00   2.96  43.91) =  99.993%  kept
          HD2   PRO   58 - HA    CYS   53   5.73 +/- 1.57  10.538% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.006%
          HD3   PRO   52 - HA    CYS   53   6.23 +/- 0.06   0.920% *  0.0684% (0.69   1.0  1.00   0.02  53.44) =   0.001%
        T HB3   SER   82 - HA    CYS   53  20.63 +/- 1.15   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.93 +/- 1.16   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  25.25 +/- 1.16   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  27.15 +/- 0.98   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 43.9:
    * O T HB3   CYS   53 - HA    CYS   53   2.68 +/- 0.20  86.542% * 99.5685% (1.00  10.0 10.00   3.26  43.91) =  99.986%  kept
          QB    PHE   55 - HA    CYS   53   4.27 +/- 0.50   8.093% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.008%
          HD3   PRO   93 - HA    CYS   53   5.40 +/- 1.65   4.894% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          HD2   ARG+  54 - HA    CYS   53   7.50 +/- 0.75   0.240% *  0.0987% (0.99   1.0  1.00   0.02  31.95) =   0.000%
          HB2   PHE   59 - HA    CYS   53   7.54 +/- 0.92   0.230% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  19.09 +/- 1.11   0.001% *  0.0919% (0.92   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 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 43.9:
    * O T HA    CYS   53 - HB2   CYS   53   2.88 +/- 0.13  99.993% * 98.9901% (1.00  10.0 10.00   2.96  43.91) = 100.000%  kept
        T HA    SER   82 - HB2   CYS   53  18.70 +/- 1.23   0.002% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  24.41 +/- 1.11   0.000% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  20.07 +/- 1.33   0.001% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.06 +/- 1.32   0.004% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  24.28 +/- 1.15   0.000% *  0.0482% (0.49   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 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 = 3.32, residual support = 43.9:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.857% * 99.5685% (1.00  10.0 10.00   3.32  43.91) = 100.000%  kept
          HD3   PRO   93 - HB2   CYS   53   7.33 +/- 1.92   0.055% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.22 +/- 0.43   0.056% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.19 +/- 0.67   0.025% *  0.0987% (0.99   1.0  1.00   0.02  31.95) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   8.98 +/- 1.24   0.008% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  19.65 +/- 1.24   0.000% *  0.0919% (0.92   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 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 43.9:
    * O T HA    CYS   53 - HB3   CYS   53   2.68 +/- 0.20  99.995% * 99.7562% (1.00  10.0 10.00   3.26  43.91) = 100.000%  kept
          HA    GLU- 114 - HB3   CYS   53  15.79 +/- 1.25   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   CYS   53  20.13 +/- 1.51   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  18.38 +/- 1.46   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  24.23 +/- 1.26   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  24.17 +/- 1.28   0.000% *  0.0486% (0.49   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 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.32, residual support = 43.9:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  97.672% * 99.6975% (1.00  10.0 10.00   3.32  43.91) =  99.999%  kept
          HD2   PRO   58 - HB3   CYS   53   6.53 +/- 1.92   2.234% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD3   PRO   52 - HB3   CYS   53   5.89 +/- 0.81   0.094% *  0.0685% (0.69   1.0  1.00   0.02  53.44) =   0.000%
          HA    VAL   83 - HB3   CYS   53  18.20 +/- 1.43   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.52 +/- 1.43   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  24.56 +/- 1.10   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.58 +/- 0.94   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.69, residual support = 170.2:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.70 +/- 0.10  96.071% * 98.6035% (1.00  10.0 10.00   5.69 170.24) =  99.999%  kept
          HB2   PRO   93 - HA    LEU  115   6.38 +/- 1.55   2.392% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    LEU  115   5.90 +/- 0.76   1.404% *  0.0263% (0.27   1.0  1.00   0.02   6.54) =   0.000%
          HB2   PRO   93 - HA    ARG+  54  10.19 +/- 1.40   0.053% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   9.35 +/- 0.73   0.065% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.16 +/- 1.23   0.006% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  14.96 +/- 1.23   0.004% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.69 +/- 1.71   0.003% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  25.49 +/- 1.54   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.04 +/- 1.61   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  29.15 +/- 2.66   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.98 +/- 1.11   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  25.53 +/- 1.90   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.53 +/- 1.08   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  23.37 +/- 1.55   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.67 +/- 1.44   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.90 +/- 1.71   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  36.81 +/- 4.27   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  32.09 +/- 1.30   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  35.27 +/- 3.36   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.07 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 170.2:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.78 +/- 0.69  95.396% * 96.1276% (1.00  10.0 10.00   5.69 170.24) =  99.997%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.81 +/- 0.28   0.399% *  0.3608% (0.38   1.0 10.00   0.02   1.75) =   0.002%
          HB    ILE   56 - HA    LEU  115   6.74 +/- 0.97   2.836% *  0.0122% (0.13   1.0  1.00   0.02   0.56) =   0.000%
          HB    ILE   56 - HA    ARG+  54   7.18 +/- 0.38   0.632% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.13 +/- 1.80   0.033% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.77 +/- 1.23   0.328% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.50 +/- 0.78   0.252% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  17.42 +/- 1.48   0.003% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  15.42 +/- 1.99   0.008% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.71 +/- 1.14   0.021% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.65 +/- 1.77   0.001% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.00 +/- 0.81   0.053% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.94 +/- 1.94   0.005% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  19.75 +/- 0.89   0.001% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  17.07 +/- 1.04   0.003% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.70 +/- 1.06   0.007% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  17.19 +/- 1.39   0.004% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.63 +/- 1.06   0.001% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.58 +/- 1.50   0.002% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.79 +/- 1.28   0.011% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.58 +/- 1.40   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  26.86 +/- 1.03   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.81 +/- 0.80   0.001% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.00 +/- 1.67   0.001% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  25.41 +/- 1.42   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  24.28 +/- 0.99   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.98 +/- 1.09   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  33.04 +/- 1.07   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.23 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.99, support = 5.43, residual support = 152.9:
    *   T HD2   ARG+  54 - HA    ARG+  54   4.17 +/- 0.64  47.508% * 72.5634% (1.00 10.00   5.60 170.24) =  88.436%  kept
          HB3   CYS   53 - HA    ARG+  54   5.02 +/- 0.43  18.020% * 14.9394% (0.99  1.00   4.15  31.95) =   6.906%  kept
          QB    PHE   55 - HA    ARG+  54   5.06 +/- 0.03  15.083% * 12.0166% (0.80  1.00   4.14   3.13) =   4.650%  kept
          HB2   PHE   59 - HA    LEU  115   5.57 +/- 1.03  14.653% *  0.0117% (0.16  1.00   0.02  28.07) =   0.004%
          QB    PHE   55 - HA    LEU  115   8.56 +/- 1.47   2.965% *  0.0179% (0.25  1.00   0.02   7.58) =   0.001%
          HD3   PRO   93 - HA    ARG+  54   9.51 +/- 1.54   0.456% *  0.0651% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   9.28 +/- 1.35   0.618% *  0.0382% (0.53  1.00   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115   9.58 +/- 1.43   0.542% *  0.0200% (0.28  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.61 +/- 1.44   0.022% *  0.2233% (0.31 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.11 +/- 1.07   0.089% *  0.0221% (0.30  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  13.92 +/- 1.71   0.040% *  0.0194% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.51 +/- 1.42   0.004% *  0.0629% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 5.69, residual support = 170.2:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.70 +/- 0.10  99.970% * 98.5625% (1.00  10.0 10.00   5.69 170.24) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.16 +/- 1.23   0.006% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  12.99 +/- 1.38   0.012% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  19.29 +/- 1.52   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  15.85 +/- 2.16   0.004% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.21 +/- 1.19   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.20 +/- 1.64   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  29.15 +/- 2.66   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.27 +/- 1.52   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.90 +/- 1.71   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  28.81 +/- 1.07   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  23.39 +/- 2.20   0.000% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  22.02 +/- 3.68   0.001% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  36.81 +/- 4.27   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  21.20 +/- 2.31   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  31.09 +/- 0.60   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  29.56 +/- 4.77   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  21.70 +/- 2.27   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  35.27 +/- 3.36   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.15 +/- 1.78   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  31.70 +/- 1.65   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  26.44 +/- 2.85   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  37.47 +/- 0.65   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.69 +/- 2.97   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  34.57 +/- 3.16   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  30.32 +/- 1.54   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.53 +/- 3.29   0.000% *  0.0017% (0.02   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 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 = 4.98, residual support = 170.2:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.42 +/- 0.37  96.616% * 97.3460% (1.00  10.0 10.00   4.98 170.24) =  99.997%  kept
          QB    PHE   55 - HB2   ARG+  54   4.74 +/- 0.47   2.796% *  0.0779% (0.80   1.0  1.00   0.02   3.13) =   0.002%
          HB3   CYS   53 - HB2   ARG+  54   6.44 +/- 0.69   0.514% *  0.0965% (0.99   1.0  1.00   0.02  31.95) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   9.86 +/- 1.70   0.055% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  11.11 +/- 1.24   0.016% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.95 +/- 2.08   0.002% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.68 +/- 1.30   0.000% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  23.76 +/- 3.08   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  30.33 +/- 2.00   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  32.65 +/- 3.19   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  24.24 +/- 2.35   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  27.27 +/- 2.99   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  38.84 +/- 3.38   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  40.09 +/- 5.31   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  27.87 +/- 2.06   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  32.37 +/- 3.68   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  35.36 +/- 4.10   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  34.96 +/- 3.71   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 170.2:
    *   T HA    ARG+  54 - HD2   ARG+  54   4.17 +/- 0.64  99.898% * 99.0328% (1.00 10.00   5.60 170.24) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.61 +/- 1.44   0.067% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  20.08 +/- 1.60   0.012% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.56 +/- 1.21   0.019% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.68 +/- 1.99   0.001% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  29.96 +/- 1.19   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  32.45 +/- 0.90   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  33.09 +/- 1.90   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  38.82 +/- 0.92   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.09 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 170.2:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.42 +/- 0.37  99.987% * 97.9068% (1.00  10.0 10.00   4.98 170.24) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  12.69 +/- 1.59   0.011% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.66 +/- 1.69   0.001% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.92 +/- 1.59   0.001% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  28.86 +/- 1.69   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  28.77 +/- 1.26   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  32.65 +/- 3.19   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  26.98 +/- 1.74   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  40.09 +/- 5.31   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  35.47 +/- 1.22   0.000% *  0.0784% (0.80   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 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 170.2:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.79 +/- 0.24  99.515% * 97.2335% (1.00  10.0 10.00   4.84 170.24) =  99.998%  kept
        T HB3   PRO   52 - HD2   ARG+  54   7.73 +/- 1.50   0.420% *  0.3649% (0.38   1.0 10.00   0.02   1.75) =   0.002%
          HB    ILE   56 - HD2   ARG+  54   9.88 +/- 0.68   0.059% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  18.77 +/- 1.72   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.03 +/- 2.26   0.002% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  26.20 +/- 1.93   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.33 +/- 0.98   0.001% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.59 +/- 1.06   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.54 +/- 1.93   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.35 +/- 1.25   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  29.89 +/- 1.11   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  26.94 +/- 1.38   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  28.67 +/- 1.16   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  36.54 +/- 0.99   0.000% *  0.0270% (0.28   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 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 = 3.53, residual support = 20.2:
    * O T QB    PHE   55 - HA    PHE   55   2.48 +/- 0.08  99.036% * 99.2105% (1.00  10.0 10.00   3.53  20.21) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.99 +/- 0.60   0.611% *  0.0794% (0.80   1.0  1.00   0.02   3.13) =   0.000%
          HD3   PRO   93 - HA    PHE   55   8.97 +/- 1.55   0.104% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    PHE   55   8.25 +/- 1.18   0.110% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   7.80 +/- 0.33   0.110% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  10.80 +/- 1.40   0.019% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  17.28 +/- 1.12   0.001% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  12.93 +/- 1.14   0.006% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.25 +/- 1.42   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  16.38 +/- 0.43   0.001% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  17.24 +/- 0.99   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  23.57 +/- 0.95   0.000% *  0.0187% (0.19   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 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.53, residual support = 20.2:
    * O T HA    PHE   55 - QB    PHE   55   2.48 +/- 0.08  92.841% * 99.2581% (1.00  10.0 10.00   3.53  20.21) =  99.993%  kept
          HA    ALA  110 - QB    PHE   55   5.91 +/- 2.45   7.151% *  0.0861% (0.87   1.0  1.00   0.02   0.11) =   0.007%
          HA    GLN   90 - QB    PHE   55  13.12 +/- 1.40   0.006% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  17.28 +/- 1.12   0.001% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 124.4:
    * O T HB    ILE   56 - HA    ILE   56   2.56 +/- 0.22  99.077% * 98.8500% (1.00  10.0 10.00   4.50 124.40) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   6.10 +/- 0.87   0.721% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HA    ILE   56   7.67 +/- 0.92   0.167% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.06 +/- 1.30   0.019% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.34 +/- 1.54   0.009% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  15.40 +/- 1.74   0.003% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  16.99 +/- 0.79   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  18.49 +/- 0.84   0.001% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.17 +/- 1.80   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  23.42 +/- 1.08   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  21.38 +/- 1.70   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  24.66 +/- 0.69   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  28.85 +/- 1.27   0.000% *  0.0954% (0.97   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 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 124.4:
    * O   QG2   ILE   56 - HA    ILE   56   2.90 +/- 0.33  99.944% * 98.4757% (1.00  10.0  1.00   4.72 124.40) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.84 +/- 1.37   0.043% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  14.37 +/- 1.17   0.009% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  20.30 +/- 0.76   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  30.04 +/- 1.39   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  24.11 +/- 1.71   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  19.85 +/- 0.93   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  21.39 +/- 0.86   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  22.06 +/- 1.09   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  23.23 +/- 1.10   0.000% *  0.0172% (0.18   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 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.4:
    * O T QG1   ILE   56 - HA    ILE   56   2.75 +/- 0.52  99.905% * 97.9351% (1.00  10.0 10.00   3.76 124.40) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  14.57 +/- 2.00   0.009% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.06 +/- 1.10   0.080% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  21.74 +/- 1.49   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  20.66 +/- 1.49   0.001% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  15.98 +/- 0.60   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  19.65 +/- 0.98   0.001% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.12 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 124.4:
    * O T HA    ILE   56 - HB    ILE   56   2.56 +/- 0.22  99.777% * 98.4172% (1.00  10.0 10.00   4.50 124.40) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.73 +/- 0.89   0.182% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASP- 113 - HB    ILE   56   9.99 +/- 1.13   0.038% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  16.55 +/- 2.02   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.83 +/- 1.21   0.000% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  21.58 +/- 1.22   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  28.04 +/- 1.27   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  24.98 +/- 1.53   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  30.66 +/- 2.17   0.000% *  0.0245% (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 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 124.4:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.02  99.987% * 98.4757% (1.00  10.0 10.00   5.58 124.40) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.59 +/- 1.70   0.011% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  14.68 +/- 1.68   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  19.95 +/- 1.02   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.58 +/- 1.65   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.54 +/- 1.39   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  19.79 +/- 1.07   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  21.30 +/- 1.39   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  22.32 +/- 1.21   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  23.29 +/- 1.45   0.000% *  0.0172% (0.18   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 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 124.4:
    * O T QG1   ILE   56 - HB    ILE   56   2.27 +/- 0.13  99.927% * 98.7886% (1.00  10.0 10.00   4.53 124.40) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  13.31 +/- 1.82   0.005% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.51 +/- 1.46   0.066% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.17 +/- 1.27   0.000% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  14.82 +/- 1.25   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.12 +/- 1.39   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  19.61 +/- 1.31   0.000% *  0.0305% (0.31   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 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 124.4:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.02  99.645% * 98.4311% (1.00  10.0 10.00   5.58 124.40) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.29 +/- 1.57   0.126% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   6.90 +/- 0.99   0.125% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.09 +/- 0.44   0.076% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.73 +/- 1.65   0.018% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.40 +/- 1.37   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.99 +/- 1.57   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.11 +/- 1.67   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  23.38 +/- 1.57   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.65 +/- 1.74   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  16.41 +/- 1.88   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  18.67 +/- 1.74   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  19.94 +/- 1.42   0.000% *  0.0557% (0.57   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 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 124.4:
    * O T QG1   ILE   56 - QG2   ILE   56   2.23 +/- 0.20  99.503% * 98.7886% (1.00  10.0 10.00   4.72 124.40) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.39 +/- 1.38   0.474% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  10.78 +/- 1.85   0.014% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.54 +/- 1.57   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  16.69 +/- 1.45   0.001% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  17.39 +/- 1.69   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  15.72 +/- 1.83   0.001% *  0.0305% (0.31   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 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 124.4:
    * O T HA    ILE   56 - QG1   ILE   56   2.75 +/- 0.52  98.228% * 98.1263% (1.00  10.0 10.00   3.76 124.40) =  99.997%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.38 +/- 1.21   0.360% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.002%
          HA    PRO   58 - QG1   ILE   56   6.37 +/- 0.82   1.392% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.92 +/- 0.99   0.002% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.57 +/- 1.00   0.014% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  17.70 +/- 0.91   0.002% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  23.54 +/- 1.00   0.000% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  21.03 +/- 0.95   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  26.17 +/- 1.62   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 124.4:
    * O T HB    ILE   56 - QG1   ILE   56   2.27 +/- 0.13  99.615% * 98.6066% (1.00  10.0 10.00   4.53 124.40) = 100.000%  kept
        T QB    LYS+ 106 - QG1   ILE   56   9.69 +/- 1.22   0.027% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   6.91 +/- 0.83   0.262% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   8.68 +/- 0.92   0.043% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.68 +/- 0.85   0.039% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  11.43 +/- 1.20   0.008% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  13.97 +/- 0.57   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  15.73 +/- 1.07   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.22 +/- 1.46   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.63 +/- 1.38   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  19.45 +/- 1.35   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  20.68 +/- 0.87   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.80 +/- 0.92   0.000% *  0.0952% (0.97   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 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 124.4:
    * O T QG2   ILE   56 - QG1   ILE   56   2.23 +/- 0.20  99.962% * 98.4757% (1.00  10.0 10.00   4.72 124.40) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.53 +/- 1.24   0.031% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  12.21 +/- 1.42   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  16.60 +/- 0.78   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.86 +/- 1.30   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  19.43 +/- 1.28   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  16.41 +/- 0.79   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  18.50 +/- 1.19   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  18.75 +/- 0.86   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  19.40 +/- 0.99   0.000% *  0.0172% (0.18   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 576 (1.72, 1.72, 31.79 ppm):
    1 diagonal assignment:
    *     QG1   ILE   56 - QG1   ILE   56  (1.00)  kept
 
    Peak 583 (4.41, 3.81, 50.93 ppm):
    11 chemical-shift based assignments, quality = 0.926, support = 6.55, residual support = 142.8:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  40.013% * 97.5356% (0.95  10.0 10.00   6.70 146.97) =  97.131%  kept
          HA    ILE   56 - HD2   PRO   58   3.62 +/- 0.94  59.479% *  1.9378% (0.26   1.0  1.00   1.43   0.02) =   2.869%  kept
          HA    THR   46 - HD2   PRO   58   8.47 +/- 1.21   0.497% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HD2   PRO   58  17.14 +/- 0.81   0.005% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  18.48 +/- 1.37   0.003% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.85 +/- 0.89   0.001% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  23.84 +/- 1.31   0.001% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  28.90 +/- 2.18   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.56 +/- 0.90   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  30.23 +/- 0.78   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  29.15 +/- 0.72   0.000% *  0.0243% (0.24   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 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 147.0:
    * O T HB2   PRO   58 - HD2   PRO   58   3.98 +/- 0.26  98.781% * 99.3830% (0.95  10.0 10.00   6.94 146.97) = 100.000%  kept
          HG2   PRO   52 - HD2   PRO   58  10.09 +/- 1.49   1.024% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HD2   PRO   58  11.74 +/- 1.18   0.180% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.14 +/- 1.39   0.013% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.32 +/- 0.84   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.64 +/- 0.88   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.93, residual support = 145.9:
    * O T HB3   PRO   58 - HD2   PRO   58   3.68 +/- 0.26  85.813% * 92.0303% (0.79  10.0 10.00   6.97 146.97) =  99.249%  kept
          HB    ILE   56 - HD2   PRO   58   5.53 +/- 0.90  10.823% *  5.5156% (0.79   1.0  1.00   1.20   0.02) =   0.750%  kept
          HG2   ARG+  54 - HD2   PRO   58   7.01 +/- 1.18   3.235% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HD2   PRO   58  12.77 +/- 1.83   0.083% *  0.1063% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  23.14 +/- 1.01   0.002% *  1.1018% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  15.34 +/- 1.19   0.019% *  0.0453% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  29.60 +/- 0.81   0.000% *  1.0423% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  17.99 +/- 2.05   0.009% *  0.0340% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  18.25 +/- 1.41   0.007% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   58  17.56 +/- 1.39   0.008% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  24.43 +/- 0.64   0.001% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  33.74 +/- 4.05   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.0:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.727% * 98.7160% (0.95  10.0 10.00   6.61 146.97) =  99.999%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.23 +/- 1.72   0.087% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HB2   PRO   93 - HD2   PRO   58   9.17 +/- 1.69   0.184% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.90 +/- 0.95   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  25.97 +/- 2.47   0.000% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  33.64 +/- 4.25   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.69 +/- 1.34   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.73 +/- 0.76   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.28, residual support = 147.0:
    * O T HB2   PRO   58 - HA    PRO   58   2.63 +/- 0.19  99.971% * 99.2784% (1.00  10.0 10.00   6.28 146.97) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.83 +/- 1.27   0.009% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  12.42 +/- 1.52   0.018% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.80 +/- 1.27   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.25 +/- 0.88   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  27.75 +/- 1.37   0.000% *  0.0276% (0.28   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 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 147.0:
    * O T HB3   PRO   58 - HA    PRO   58   2.41 +/- 0.19  99.814% * 98.4544% (0.84  10.0 10.00   6.19 146.97) =  99.998%  kept
        T HB    ILE   56 - HA    PRO   58   7.73 +/- 0.89   0.151% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HG2   ARG+  54 - HA    PRO   58  10.09 +/- 1.14   0.027% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  14.70 +/- 1.80   0.003% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.24 +/- 0.95   0.002% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.63 +/- 1.36   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  18.17 +/- 1.62   0.001% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  19.05 +/- 2.19   0.001% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.76 +/- 1.14   0.001% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  27.07 +/- 0.86   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  21.90 +/- 0.94   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  30.27 +/- 3.90   0.000% *  0.0206% (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 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.0:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.378% * 98.7160% (1.00  10.0 10.00   5.98 146.97) =  99.998%  kept
        T HG3   PRO   52 - HA    PRO   58  13.74 +/- 1.90   0.180% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - HA    PRO   58  10.40 +/- 1.30   0.414% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.97 +/- 1.08   0.018% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  22.48 +/- 2.50   0.004% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  30.20 +/- 4.10   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  22.26 +/- 1.81   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.56 +/- 1.04   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.23 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.0:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  96.513% * 98.5403% (0.95  10.0 10.00   6.70 146.97) =  99.999%  kept
          HB2   CYS   53 - HA    PRO   58   8.01 +/- 1.49   3.481% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HA    PRO   58  25.05 +/- 1.04   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  21.40 +/- 1.57   0.003% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.82 +/- 0.87   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 147.0:
    * O T HA    PRO   58 - HB2   PRO   58   2.63 +/- 0.19  98.828% * 99.4356% (1.00  10.0 10.00   6.28 146.97) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.92 +/- 0.92   1.122% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  10.41 +/- 1.46   0.041% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  14.43 +/- 1.25   0.005% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  16.07 +/- 1.39   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.37 +/- 0.92   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  21.58 +/- 1.51   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  26.45 +/- 2.31   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  22.30 +/- 0.96   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.39 +/- 0.98   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.97 +/- 0.80   0.000% *  0.0248% (0.25   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 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 147.0:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.971% * 98.9371% (0.84  10.0 10.00   4.49 146.97) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.77 +/- 1.10   0.024% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  10.45 +/- 1.54   0.004% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  15.74 +/- 1.50   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  20.00 +/- 1.45   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  15.96 +/- 1.30   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.05 +/- 1.76   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.46 +/- 1.32   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  20.57 +/- 1.78   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.96 +/- 0.89   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.33 +/- 0.97   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  31.29 +/- 4.06   0.000% *  0.0207% (0.18   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 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 147.0:
    * O T HG2   PRO   58 - HB2   PRO   58   2.47 +/- 0.28  99.979% * 98.7160% (1.00  10.0 10.00   4.29 146.97) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.71 +/- 1.63   0.004% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.27 +/- 1.14   0.015% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.01 +/- 1.21   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  23.67 +/- 2.63   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  31.19 +/- 4.34   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  24.45 +/- 1.78   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.10 +/- 0.96   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.02 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 147.0:
    * O T HD2   PRO   58 - HB2   PRO   58   3.98 +/- 0.26  98.652% * 98.5403% (0.95  10.0 10.00   6.94 146.97) =  99.999%  kept
          HB2   CYS   53 - HB2   PRO   58   9.36 +/- 1.59   1.343% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  26.02 +/- 0.94   0.001% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.90 +/- 0.83   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  23.39 +/- 1.30   0.003% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.12 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.19, residual support = 147.0:
    * O T HA    PRO   58 - HB3   PRO   58   2.41 +/- 0.19  99.443% * 99.1888% (0.84  10.0 10.00   6.19 146.97) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.10 +/- 0.87   0.523% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  10.35 +/- 1.59   0.029% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  16.35 +/- 1.74   0.002% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.23 +/- 1.09   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  21.85 +/- 1.79   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.95 +/- 1.25   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  26.59 +/- 2.51   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.91 +/- 1.18   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.84 +/- 1.27   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.44 +/- 1.06   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.49, residual support = 147.0:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 99.1367% (0.84  10.0 10.00   4.49 146.97) = 100.000%  kept
        T HB3   PHE   97 - HB3   PRO   58  18.11 +/- 1.46   0.000% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   PRO   58  12.32 +/- 1.75   0.001% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  13.31 +/- 1.57   0.001% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.67 +/- 1.13   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  29.90 +/- 1.41   0.000% *  0.0276% (0.23   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 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 147.0:
    * O T HG2   PRO   58 - HB3   PRO   58   2.79 +/- 0.28  99.953% * 97.0168% (0.84  10.0 10.00   4.20 146.97) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.51 +/- 1.90   0.016% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.58 +/- 1.25   0.028% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  23.83 +/- 2.78   0.000% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  31.26 +/- 4.55   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.57 +/- 1.41   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  24.42 +/- 1.82   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.35 +/- 1.11   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.41 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 147.0:
    * O T HD2   PRO   58 - HB3   PRO   58   3.68 +/- 0.26  98.196% * 98.5403% (0.79  10.0 10.00   6.97 146.97) =  99.999%  kept
          HB2   CYS   53 - HB3   PRO   58   8.99 +/- 1.66   1.800% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HB3   PRO   58  26.59 +/- 1.26   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.42 +/- 1.16   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  23.47 +/- 1.44   0.002% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.996, support = 5.95, residual support = 146.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  41.855% * 97.9061% (1.00  10.0 10.00   5.98 146.97) =  99.551%  kept
          HA    ILE   56 - HG2   PRO   58   3.97 +/- 1.20  56.894% *  0.3228% (0.28   1.0  1.00   0.24   0.02) =   0.446%
        T HA    PRO   58 - HG3   PRO   52  13.74 +/- 1.90   0.053% *  0.7926% (0.81   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HG3   PRO   52   8.72 +/- 1.68   0.833% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HG2   PRO   58  10.31 +/- 1.01   0.179% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.57 +/- 1.07   0.154% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  14.80 +/- 0.95   0.017% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  17.70 +/- 1.49   0.007% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  22.05 +/- 0.98   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  23.22 +/- 1.47   0.001% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  28.28 +/- 2.31   0.000% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  26.88 +/- 1.71   0.000% *  0.0765% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  25.63 +/- 2.38   0.001% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.37 +/- 1.34   0.001% *  0.0297% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  30.11 +/- 2.13   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.77 +/- 1.03   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.56 +/- 0.92   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.80 +/- 0.76   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  35.63 +/- 2.82   0.000% *  0.0791% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.95 +/- 1.73   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  34.59 +/- 1.99   0.000% *  0.0417% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.70 +/- 2.04   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.30 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.605, support = 5.06, residual support = 181.4:
    * O T HB2   PRO   58 - HG2   PRO   58   2.47 +/- 0.28  13.171% * 87.8577% (1.00  10.0 10.00   4.29 146.97) =  54.842%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  86.824% * 10.9746% (0.12  10.0 10.00   5.99 223.26) =  45.158%  kept
        T HB2   PRO   58 - HG3   PRO   52  14.71 +/- 1.63   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   PRO   58  10.11 +/- 1.62   0.003% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.30 +/- 1.24   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.42 +/- 1.62   0.000% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.91 +/- 1.51   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  21.03 +/- 1.62   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.50 +/- 0.98   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.59 +/- 2.11   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  31.26 +/- 1.78   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.88 +/- 0.81   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 147.0:
    * O T HB3   PRO   58 - HG2   PRO   58   2.79 +/- 0.28  90.285% * 96.9979% (0.84  10.0 10.00   4.20 146.97) =  99.990%  kept
          HB2   MET   92 - HG3   PRO   52   5.70 +/- 1.54   6.003% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.006%
          HB    ILE   56 - HG2   PRO   58   5.93 +/- 1.28   3.075% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.003%
        T HB3   PRO   58 - HG3   PRO   52  14.51 +/- 1.90   0.015% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   PRO   52   9.70 +/- 1.80   0.106% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  13.59 +/- 2.16   0.015% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.81 +/- 2.17   0.132% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.19 +/- 0.81   0.207% *  0.0145% (0.12   1.0  1.00   0.02   1.75) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.19 +/- 1.54   0.137% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  14.42 +/- 1.44   0.007% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  20.08 +/- 1.12   0.001% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.36 +/- 1.40   0.005% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.80 +/- 1.43   0.005% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.65 +/- 1.77   0.003% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  19.83 +/- 1.53   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.55 +/- 0.98   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.22 +/- 2.05   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  20.33 +/- 1.56   0.001% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  33.21 +/- 4.13   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.77 +/- 0.96   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.44 +/- 0.71   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  33.39 +/- 1.82   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.16 +/- 2.05   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  40.59 +/- 4.58   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.38 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.0:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  98.606% * 98.7117% (0.95  10.0 10.00   6.61 146.97) =  99.999%  kept
        T HD2   PRO   58 - HG3   PRO   52  11.23 +/- 1.72   0.083% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.001%
          HB2   CYS   53 - HG3   PRO   52   6.70 +/- 0.73   1.010% *  0.0288% (0.28   1.0  1.00   0.02  53.44) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   8.68 +/- 1.20   0.298% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  18.62 +/- 2.17   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  23.56 +/- 0.88   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.62 +/- 0.98   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  30.21 +/- 1.79   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.73 +/- 0.87   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.71 +/- 1.91   0.000% *  0.0235% (0.23   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 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 = 58.6:
    * O T HB2   PHE   59 - HA    PHE   59   2.91 +/- 0.23  99.714% * 99.6348% (1.00  10.0 10.00   3.29  58.62) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.37 +/- 0.77   0.114% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  10.56 +/- 1.17   0.063% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  10.60 +/- 1.30   0.079% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.36 +/- 0.78   0.019% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  14.10 +/- 1.39   0.010% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.6:
    * O T HB3   PHE   59 - HA    PHE   59   2.57 +/- 0.20  99.999% * 99.9552% (1.00  10.0 10.00   3.98  58.62) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  18.14 +/- 0.99   0.001% *  0.0448% (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 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.29, residual support = 58.6:
    * O T HA    PHE   59 - HB2   PHE   59   2.91 +/- 0.23  99.940% * 99.8386% (1.00  10.0 10.00   3.29  58.62) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.54 +/- 1.01   0.056% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.38 +/- 1.43   0.002% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.83 +/- 1.33   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  25.16 +/- 1.12   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 58.6:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.62) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  16.49 +/- 1.09   0.000% *  0.0448% (0.45   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 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 58.6:
    * O T HA    PHE   59 - HB3   PHE   59   2.57 +/- 0.20  99.962% * 99.8386% (1.00  10.0 10.00   3.98  58.62) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59  10.01 +/- 1.11   0.036% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  20.06 +/- 1.04   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.85 +/- 1.11   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  25.34 +/- 0.99   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.6:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.973% * 99.6348% (1.00  10.0 10.00   3.44  58.62) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.70 +/- 0.81   0.018% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59   9.81 +/- 1.03   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.53 +/- 0.83   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  12.16 +/- 1.47   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  13.15 +/- 1.04   0.001% *  0.0524% (0.53   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 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 = 72.3:
    * O T HB2   PHE   60 - HA    PHE   60   2.86 +/- 0.18  99.994% * 99.9010% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  14.94 +/- 1.11   0.006% *  0.0990% (0.99   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 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB3   PHE   60 - HA    PHE   60   2.50 +/- 0.28  99.959% * 99.7797% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   60  12.17 +/- 1.35   0.016% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    PHE   60  10.96 +/- 0.85   0.021% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  14.87 +/- 0.75   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  22.75 +/- 1.09   0.000% *  0.0249% (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 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HA    PHE   60 - HB2   PHE   60   2.86 +/- 0.18  99.816% * 99.8400% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60   9.02 +/- 0.90   0.118% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  12.83 +/- 1.01   0.014% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.63 +/- 1.06   0.017% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  11.54 +/- 1.22   0.030% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.70 +/- 1.05   0.004% *  0.0278% (0.28   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 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 = 72.3:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.998% * 99.7797% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  13.59 +/- 1.66   0.001% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.26 +/- 1.28   0.001% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.35 +/- 1.05   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  24.63 +/- 1.54   0.000% *  0.0249% (0.25   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 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HA    PHE   60 - HB3   PHE   60   2.50 +/- 0.28  99.868% * 99.8400% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   8.17 +/- 1.01   0.104% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.71 +/- 0.85   0.007% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.19 +/- 1.27   0.006% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  11.52 +/- 1.22   0.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.46 +/- 1.10   0.002% *  0.0278% (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 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.3:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  72.28) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  14.64 +/- 1.26   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 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   2.12 +/- 0.01  99.851% * 98.4786% (1.00  10.0 10.00   2.21  18.04) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   8.08 +/- 0.98   0.046% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   8.65 +/- 0.64   0.025% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  13.55 +/- 1.52   0.002% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   7.76 +/- 1.17   0.060% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  12.58 +/- 1.33   0.003% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.66 +/- 0.71   0.004% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  14.29 +/- 1.73   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.57 +/- 1.19   0.004% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  14.22 +/- 1.32   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  15.79 +/- 1.77   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.43 +/- 1.36   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  22.86 +/- 1.52   0.000% *  0.0518% (0.53   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 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   2.12 +/- 0.01  99.752% * 98.9510% (1.00  10.0 10.00   2.21  18.04) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   6.39 +/- 0.46   0.150% *  0.0444% (0.45   1.0  1.00   0.02   0.70) =   0.000%
          HD3   PRO   58 - QB    ALA  110   8.69 +/- 2.47   0.059% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  13.55 +/- 1.52   0.002% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61   8.81 +/- 1.05   0.029% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.73 +/- 0.54   0.006% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  14.72 +/- 1.01   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.12 +/- 1.27   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.14 +/- 1.11   0.001% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  20.07 +/- 1.00   0.000% *  0.0163% (0.16   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 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.63 +/- 0.17  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.94 +/- 1.37   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.00 +/- 0.11  99.996% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  17.50 +/- 0.51   0.003% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  23.48 +/- 0.78   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  24.66 +/- 2.17   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  25.12 +/- 1.56   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.63 +/- 0.17  99.987% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  12.55 +/- 1.17   0.013% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  22.68 +/- 1.10   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  24.98 +/- 0.76   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 0.00 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 +/- 0.64   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  23.77 +/- 0.78   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.23 +/- 2.16   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  26.67 +/- 1.33   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   3.00 +/- 0.11  99.969% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.86 +/- 0.90   0.030% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  22.43 +/- 1.06   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  24.41 +/- 0.67   0.000% *  0.0278% (0.27   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 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  14.96 +/- 1.25   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.1:
    * O T HB2   LEU   63 - HA    LEU   63   2.90 +/- 0.10  99.229% * 99.1997% (1.00  10.0 10.00   6.28 240.08) =  99.999%  kept
          HB3   ASP-  44 - HA    LEU   63   7.13 +/- 1.01   0.650% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   63  10.98 +/- 0.78   0.039% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  12.04 +/- 0.82   0.021% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  13.28 +/- 1.18   0.014% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  13.82 +/- 1.94   0.031% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.98 +/- 1.00   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  16.12 +/- 0.85   0.004% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.37 +/- 1.86   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  18.78 +/- 1.62   0.002% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  19.99 +/- 1.15   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.58 +/- 1.09   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.68 +/- 1.15   0.002% *  0.0174% (0.18   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 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.1:
    * O T HB3   LEU   63 - HA    LEU   63   2.52 +/- 0.23  97.243% * 99.7424% (1.00  10.0 10.00   5.98 240.08) =  99.999%  kept
          QG1   VAL   70 - HA    LEU   63   5.81 +/- 1.13   1.574% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.32 +/- 1.25   0.811% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   7.09 +/- 1.03   0.344% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.35 +/- 1.76   0.014% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  11.74 +/- 1.06   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.1:
    * O T HG    LEU   63 - HA    LEU   63   2.96 +/- 0.65  99.660% * 99.8120% (1.00  10.0 10.00   5.98 240.08) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.61 +/- 0.82   0.323% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.96 +/- 1.08   0.013% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  18.27 +/- 0.95   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.12 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.674, support = 5.56, residual support = 240.1:
        T QD2   LEU   63 - HA    LEU   63   2.65 +/- 0.37  84.184% * 35.7505% (0.57 10.00   5.53 240.08) =  75.218%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.72 +/- 0.48  15.703% * 63.1462% (1.00 10.00   5.64 240.08) =  24.782%  kept
        T QD1   LEU  104 - HA    LEU   63  11.47 +/- 1.07   0.016% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.77 +/- 0.72   0.007% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   63   8.46 +/- 0.93   0.086% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  15.88 +/- 1.39   0.002% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  16.33 +/- 1.62   0.002% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.959, support = 5.54, residual support = 240.1:
    *   T QD2   LEU   63 - HA    LEU   63   2.65 +/- 0.37  84.165% * 63.5438% (1.00 10.00   5.53 240.08) =  90.449%  kept
        T QD1   LEU   63 - HA    LEU   63   3.72 +/- 0.48  15.698% * 35.9756% (0.57 10.00   5.64 240.08) =   9.551%  kept
        T QD1   LEU   73 - HA    LEU   63  12.77 +/- 0.72   0.007% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   63   8.46 +/- 0.93   0.086% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  10.68 +/- 0.93   0.024% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  11.87 +/- 1.28   0.015% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  15.44 +/- 1.73   0.003% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  15.88 +/- 1.39   0.002% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 240.1:
    * O T HA    LEU   63 - HB2   LEU   63   2.90 +/- 0.10  99.997% * 99.2046% (1.00  10.0 10.00   6.28 240.08) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  18.59 +/- 1.72   0.002% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.23 +/- 0.80   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.1:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.841% * 99.7424% (1.00  10.0 10.00   6.31 240.08) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   63   6.71 +/- 1.26   0.059% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   6.69 +/- 1.09   0.044% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   8.03 +/- 1.39   0.046% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  12.53 +/- 1.82   0.009% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  12.26 +/- 0.92   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.1:
    * O T HG    LEU   63 - HB2   LEU   63   2.57 +/- 0.15  99.809% * 99.8120% (1.00  10.0 10.00   6.31 240.08) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.59 +/- 0.63   0.185% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  14.01 +/- 1.36   0.005% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  16.59 +/- 1.15   0.002% *  0.0963% (0.97   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 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.968, support = 6.17, residual support = 240.1:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.22  87.752% * 63.1462% (1.00  10.0 10.00   6.18 240.08) =  92.734%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.15 +/- 0.10  12.144% * 35.7505% (0.57  10.0 10.00   6.05 240.08) =   7.266%  kept
          QD2   LEU  115 - HB2   LEU   63   7.83 +/- 1.13   0.090% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.63 +/- 0.89   0.005% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.72 +/- 0.72   0.005% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.10 +/- 1.58   0.002% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  14.52 +/- 1.78   0.002% *  0.0111% (0.18   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 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.651, support = 6.16, residual support = 240.1:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.22  87.740% * 35.9756% (0.57  10.0 10.00   6.18 240.08) =  80.360%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.15 +/- 0.10  12.141% * 63.5438% (1.00  10.0 10.00   6.05 240.08) =  19.640%  kept
        T QD1   LEU   73 - HB2   LEU   63  11.63 +/- 0.89   0.005% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   63   7.83 +/- 1.13   0.090% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.09 +/- 1.06   0.013% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.03 +/- 1.24   0.007% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  13.64 +/- 1.95   0.003% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  14.10 +/- 1.58   0.002% *  0.0141% (0.22   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 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.1:
    * O T HA    LEU   63 - HB3   LEU   63   2.52 +/- 0.23  99.998% * 99.8862% (1.00  10.0 10.00   5.98 240.08) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  19.17 +/- 1.91   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.07 +/- 0.99   0.001% *  0.0375% (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 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.1:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.690% * 99.1997% (1.00  10.0 10.00   6.31 240.08) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   5.46 +/- 1.58   0.300% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  10.80 +/- 1.03   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  11.44 +/- 1.39   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  12.18 +/- 1.11   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.07 +/- 1.78   0.003% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  14.46 +/- 1.30   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.20 +/- 1.04   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.37 +/- 1.92   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  16.93 +/- 2.11   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.30 +/- 1.81   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  16.92 +/- 1.32   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.70 +/- 1.23   0.000% *  0.0445% (0.45   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 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.1:
    * O T HG    LEU   63 - HB3   LEU   63   2.96 +/- 0.13  99.485% * 99.8120% (1.00  10.0 10.00   6.00 240.08) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.64 +/- 0.89   0.504% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.83 +/- 1.42   0.008% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  16.68 +/- 1.52   0.004% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.757, support = 5.81, residual support = 240.1:
      O T QD2   LEU   63 - HB3   LEU   63   2.23 +/- 0.12  69.204% * 35.7505% (0.57  10.0 10.00   5.74 240.08) =  56.032%  kept
    * O T QD1   LEU   63 - HB3   LEU   63   2.62 +/- 0.25  30.745% * 63.1462% (1.00  10.0 10.00   5.88 240.08) =  43.968%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.51 +/- 1.33   0.005% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  10.60 +/- 0.78   0.007% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   8.47 +/- 1.19   0.037% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  14.42 +/- 1.82   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  14.65 +/- 2.06   0.001% *  0.0111% (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 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.77, residual support = 240.1:
    * O T QD2   LEU   63 - HB3   LEU   63   2.23 +/- 0.12  69.187% * 63.5438% (1.00  10.0 10.00   5.74 240.08) =  79.902%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.62 +/- 0.25  30.739% * 35.9756% (0.57  10.0 10.00   5.88 240.08) =  20.098%  kept
        T QD1   LEU   73 - HB3   LEU   63  11.51 +/- 1.33   0.005% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.36 +/- 1.43   0.018% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   8.47 +/- 1.19   0.037% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  10.30 +/- 1.58   0.010% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  14.06 +/- 2.23   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  14.42 +/- 1.82   0.001% *  0.0141% (0.22   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 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 240.1:
    * O T HA    LEU   63 - HG    LEU   63   2.96 +/- 0.65  99.993% * 99.8862% (1.00  10.0 10.00   5.98 240.08) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  19.77 +/- 1.66   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  18.65 +/- 1.23   0.004% *  0.0375% (0.38   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 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 240.1:
    * O T HB2   LEU   63 - HG    LEU   63   2.57 +/- 0.15  97.506% * 99.1997% (1.00  10.0 10.00   6.31 240.08) =  99.998%  kept
          HB3   ASP-  44 - HG    LEU   63   5.62 +/- 1.17   2.403% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   93 - HG    LEU   63  10.08 +/- 0.97   0.033% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  12.13 +/- 1.22   0.012% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  12.08 +/- 1.26   0.012% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.05 +/- 1.59   0.021% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  14.54 +/- 0.88   0.003% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.58 +/- 2.07   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  14.86 +/- 1.22   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  17.37 +/- 2.09   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.15 +/- 1.10   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  16.88 +/- 1.01   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.59 +/- 1.41   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 240.1:
    * O T HB3   LEU   63 - HG    LEU   63   2.96 +/- 0.13  94.643% * 99.7424% (1.00  10.0 10.00   6.00 240.08) =  99.997%  kept
          QG1   VAL   70 - HG    LEU   63   6.26 +/- 1.56   2.795% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   18 - HG    LEU   63   7.35 +/- 1.24   1.064% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   7.17 +/- 1.37   1.366% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  12.52 +/- 1.69   0.107% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.29 +/- 1.40   0.024% *  0.0340% (0.34   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 660 (1.06, 1.06, 26.21 ppm):
    1 diagonal assignment:
    *     HG    LEU   63 - HG    LEU   63  (1.00)  kept
 
    Peak 661 (0.58, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 5.58, residual support = 240.1:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.144% * 63.0834% (1.00  10.0 10.00   5.62 240.08) =  64.016%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.786% * 35.7149% (0.57  10.0 10.00   5.51 240.08) =  35.984%  kept
          QD2   LEU  115 - HG    LEU   63   7.46 +/- 1.59   0.064% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.93 +/- 1.00   0.003% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.20 +/- 1.15   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  15.07 +/- 1.79   0.001% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  14.88 +/- 1.68   0.001% *  0.0505% (0.80   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 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.842, support = 5.55, residual support = 240.1:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.784% * 63.5438% (1.00  10.0 10.00   5.51 240.08) =  63.685%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.141% * 35.9756% (0.57  10.0 10.00   5.62 240.08) =  36.315%  kept
          QD2   LEU  115 - HG    LEU   63   7.46 +/- 1.59   0.064% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.20 +/- 1.15   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  10.14 +/- 1.09   0.005% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  10.93 +/- 1.20   0.003% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  14.50 +/- 1.95   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  14.88 +/- 1.68   0.001% *  0.0141% (0.22   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 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 240.1:
    *   T HA    LEU   63 - QD1   LEU   63   3.72 +/- 0.48  93.352% * 98.5216% (1.00 10.00   5.64 240.08) =  99.997%  kept
          HB2   HIS   22 - QD1   LEU   73   8.14 +/- 1.25   1.511% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU   73  12.77 +/- 0.72   0.065% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   6.85 +/- 1.19   4.742% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU  104  11.47 +/- 1.07   0.154% *  0.2412% (0.24 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  12.90 +/- 2.03   0.125% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  16.21 +/- 1.35   0.019% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.00 +/- 1.02   0.029% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.77 +/- 1.06   0.003% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.18, residual support = 240.0:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.22  82.060% * 95.2053% (1.00  10.0 10.00   6.18 240.08) =  99.982%  kept
          HB3   ASP-  44 - QD1   LEU   63   3.76 +/- 1.32  13.295% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.016%
        T HB3   LEU   80 - QD1   LEU   73   7.25 +/- 1.08   0.106% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.02 +/- 0.40   3.484% *  0.0132% (0.14   1.0  1.00   0.02  17.00) =   0.001%
          HB2   LEU   31 - QD1   LEU   73   6.25 +/- 0.86   0.296% *  0.0854% (0.90   1.0  1.00   0.02   1.35) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.23 +/- 1.24   0.104% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.63 +/- 0.89   0.006% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.27 +/- 0.91   0.268% *  0.0187% (0.20   1.0  1.00   0.02   9.31) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.87 +/- 1.17   0.044% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   9.31 +/- 0.84   0.023% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  13.57 +/- 1.66   0.002% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.25 +/- 0.98   0.020% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.84 +/- 1.44   0.091% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.31 +/- 0.89   0.018% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.86 +/- 1.08   0.013% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.72 +/- 0.72   0.004% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.90 +/- 1.75   0.005% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.77 +/- 1.89   0.020% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  11.10 +/- 1.22   0.006% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.22 +/- 0.60   0.095% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.30 +/- 1.00   0.004% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  13.43 +/- 1.10   0.003% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  13.14 +/- 0.94   0.003% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.38 +/- 0.98   0.011% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  17.91 +/- 1.38   0.000% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.41 +/- 0.91   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  15.07 +/- 0.86   0.001% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.63 +/- 0.87   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.39 +/- 1.33   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.62 +/- 1.60   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.93 +/- 0.81   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  12.90 +/- 1.34   0.002% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.94 +/- 1.26   0.002% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.13 +/- 1.17   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.39 +/- 2.10   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.17 +/- 1.11   0.001% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  21.12 +/- 1.94   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.58 +/- 0.76   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  14.49 +/- 1.60   0.001% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 5.88, residual support = 240.1:
    * O T HB3   LEU   63 - QD1   LEU   63   2.62 +/- 0.25  90.200% * 98.2083% (1.00  10.0 10.00   5.88 240.08) =  99.994%  kept
          QG1   VAL   70 - QD1   LEU   63   5.68 +/- 1.32   5.655% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.004%
          QG1   VAL   18 - QD1   LEU   73   5.69 +/- 0.60   1.146% *  0.0675% (0.69   1.0  1.00   0.02   0.35) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   6.42 +/- 0.81   0.516% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.24 +/- 1.58   0.385% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.70 +/- 1.07   0.726% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.51 +/- 1.33   0.018% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.47 +/- 1.22   0.798% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   73   7.48 +/- 1.23   0.252% *  0.0335% (0.34   1.0  1.00   0.02   0.36) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.99 +/- 1.19   0.127% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.60 +/- 0.78   0.024% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.49 +/- 1.15   0.026% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.36 +/- 1.06   0.051% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  10.83 +/- 1.03   0.022% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.09 +/- 1.35   0.038% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.88 +/- 1.52   0.005% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.22 +/- 0.47   0.009% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.26 +/- 1.15   0.002% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 240.1:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  98.780% * 96.2195% (1.00  10.0 10.00   5.62 240.08) =  99.996%  kept
        T QG2   VAL   24 - QD1   LEU   73   5.83 +/- 0.61   0.273% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T QG1   VAL  107 - QD1   LEU   63   4.88 +/- 0.78   0.908% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   63 - QD1   LEU   73  12.20 +/- 1.15   0.003% *  0.9622% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.93 +/- 1.00   0.006% *  0.2355% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  13.64 +/- 0.87   0.001% *  0.9286% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.92 +/- 0.55   0.018% *  0.0363% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.94 +/- 1.17   0.006% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  13.21 +/- 1.01   0.002% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  15.24 +/- 1.15   0.001% *  0.2273% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  21.74 +/- 1.45   0.000% *  0.0735% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.25 +/- 0.94   0.000% *  0.0180% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 240.1:
    *   T HA    LEU   63 - QD2   LEU   63   2.65 +/- 0.37  99.992% * 99.8862% (1.00 10.00   5.53 240.08) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.05 +/- 0.84   0.007% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  17.01 +/- 1.05   0.002% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.11 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 240.1:
    * O T HB2   LEU   63 - QD2   LEU   63   3.15 +/- 0.10  92.534% * 98.3391% (1.00  10.0 10.00   6.05 240.08) =  99.993%  kept
          HB3   ASP-  44 - QD2   LEU   63   5.51 +/- 1.04   5.424% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.006%
          QB    ALA  124 - QD2   LEU   63   9.40 +/- 1.11   0.267% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63   8.79 +/- 1.05   0.253% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   8.97 +/- 1.73   1.198% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63   9.35 +/- 1.09   0.165% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  14.72 +/- 1.66   0.011% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  10.68 +/- 0.84   0.069% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.26 +/- 1.95   0.023% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  12.43 +/- 0.95   0.027% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.12 +/- 0.76   0.008% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.65 +/- 1.00   0.007% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.01 +/- 1.27   0.014% *  0.0172% (0.18   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 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 240.1:
    * O T HB3   LEU   63 - QD2   LEU   63   2.23 +/- 0.12  88.468% * 99.7424% (1.00  10.0 10.00   5.74 240.08) =  99.993%  kept
          QG1   VAL   70 - QD2   LEU   63   3.97 +/- 1.19   8.449% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU  123 - QD2   LEU   63   5.66 +/- 1.15   2.491% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   6.10 +/- 0.95   0.540% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  10.51 +/- 1.45   0.030% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63   9.32 +/- 1.12   0.021% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.51, residual support = 240.1:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.597% * 98.8183% (1.00  10.0 10.00   5.51 240.08) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.68 +/- 0.93   0.399% *  0.1525% (0.15   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   24 - QD2   LEU   63  14.22 +/- 0.96   0.001% *  0.9537% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  12.37 +/- 0.98   0.003% *  0.0755% (0.76   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 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 = 20.9:
    * O T QB    ALA   64 - HA    ALA   64   2.12 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.88) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  14.20 +/- 0.62   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.993, support = 2.01, residual support = 21.0:
    * O T HA    ALA   64 - QB    ALA   64   2.12 +/- 0.01  97.021% * 72.6945% (1.00  10.0 10.00   2.00  20.88) =  98.861%  kept
        T HB2   PHE   72 - QB    ALA   64   5.41 +/- 1.06   2.979% * 27.2831% (0.38   1.0 10.00   2.87  30.96) =   1.139%  kept
          HB3   ASN   35 - QB    ALA   64  15.90 +/- 0.74   0.001% *  0.0224% (0.31   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 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 162.6:
    * O T QB    LYS+  65 - HA    LYS+  65   2.40 +/- 0.09  98.590% * 99.3780% (0.92  10.0 10.00   6.30 162.61) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.29 +/- 0.17   0.912% *  0.0563% (0.52   1.0  1.00   0.02  25.22) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   7.24 +/- 1.69   0.434% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  11.20 +/- 1.41   0.012% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.05 +/- 1.10   0.003% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.82 +/- 1.74   0.036% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  14.46 +/- 0.95   0.002% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.62 +/- 0.70   0.000% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.21 +/- 1.30   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  14.56 +/- 1.47   0.003% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.98 +/- 1.61   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  18.93 +/- 0.96   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  16.33 +/- 1.22   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.81 +/- 1.58   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.07 +/- 1.36   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  19.89 +/- 1.39   0.000% *  0.0068% (0.06   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 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.894, support = 5.36, residual support = 166.8:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.54 +/- 0.50  55.181% * 53.0514% (0.92  10.0 10.00   5.27 162.61) =  96.275%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  37.208% *  1.4928% (0.03  10.0 10.00   8.25 316.12) =   1.827%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.33   6.992% *  5.9339% (0.10   1.0 10.00   7.51 316.12) =   1.365%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.95 +/- 0.62   0.421% * 38.5232% (0.67   1.0 10.00   5.46  25.22) =   0.533%  kept
        T HD3   LYS+  74 - HA    LYS+  65   7.91 +/- 2.25   0.123% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 1.76   0.029% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.19 +/- 2.18   0.017% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.87   0.001% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.30 +/- 1.62   0.002% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.69 +/- 1.07   0.002% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.62 +/- 1.16   0.005% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.90 +/- 1.45   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.19 +/- 1.75   0.011% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.70 +/- 1.79   0.001% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.26 +/- 1.38   0.005% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.23 +/- 1.72   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.31 +/- 1.02   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.18 +/- 1.50   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.15 +/- 1.36   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.09 +/- 0.97   0.000% *  0.0059% (0.10   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 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.917, support = 5.28, residual support = 163.6:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.47  76.206% * 94.0974% (0.92  10.0 10.00   5.27 162.61) =  99.322%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.20 +/- 0.60  23.261% *  2.1015% (0.02   1.0 10.00   6.63 316.12) =   0.677%  kept
          HB    VAL   42 - HA    LYS+  65   9.92 +/- 0.90   0.111% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.00 +/- 1.82   0.005% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  12.01 +/- 1.07   0.040% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.09 +/- 1.31   0.039% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  10.05 +/- 1.58   0.160% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  18.89 +/- 1.81   0.003% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.31 +/- 2.91   0.027% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.57 +/- 2.08   0.006% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  11.69 +/- 1.05   0.053% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  23.56 +/- 1.35   0.001% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  16.98 +/- 1.44   0.005% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.74 +/- 1.83   0.004% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.51 +/- 0.82   0.007% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.31 +/- 0.65   0.006% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  20.72 +/- 1.32   0.001% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  16.12 +/- 1.05   0.006% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  17.46 +/- 0.84   0.004% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.50 +/- 1.21   0.021% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.20 +/- 1.00   0.010% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.25 +/- 1.74   0.001% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.66 +/- 1.41   0.014% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  16.20 +/- 1.18   0.007% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.34 +/- 1.39   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.71 +/- 2.72   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.57 +/- 0.79   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.64 +/- 1.14   0.001% *  0.0024% (0.02   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 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.76, support = 5.44, residual support = 193.2:
    *   T QD    LYS+  65 - HA    LYS+  65   3.42 +/- 0.41  30.264% * 86.8789% (0.92   1.0 10.00   4.75 162.61) =  80.065%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.07  66.912% *  9.7826% (0.10  10.0 10.00   8.24 316.12) =  19.932%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.24 +/- 0.52   2.369% *  0.0334% (0.04   1.0 10.00   0.02   2.19) =   0.002%
          HD2   LYS+  74 - HA    LYS+  65   8.01 +/- 2.26   0.406% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  14.76 +/- 1.25   0.005% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.74 +/- 1.57   0.005% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.49 +/- 1.07   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.66 +/- 0.88   0.018% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.15 +/- 1.15   0.003% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.77 +/- 1.32   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  16.24 +/- 1.76   0.003% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.88 +/- 1.64   0.001% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.45 +/- 0.76   0.001% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.25 +/- 1.41   0.003% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.53 +/- 1.39   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  15.84 +/- 1.07   0.003% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.30 +/- 0.71   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.74 +/- 1.08   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.05 +/- 1.45   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.03 +/- 0.83   0.003% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.74 +/- 1.69   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  24.37 +/- 1.47   0.000% *  0.0097% (0.10   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 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 162.6:
    *   T QE    LYS+  65 - HA    LYS+  65   4.21 +/- 0.75  99.816% * 97.2340% (0.92 10.00   4.75 162.61) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.00 +/- 2.42   0.082% *  0.8720% (0.83 10.00   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  65  21.71 +/- 1.07   0.007% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  16.97 +/- 1.44   0.038% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  21.95 +/- 1.20   0.007% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  18.30 +/- 2.01   0.023% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  21.57 +/- 1.85   0.008% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  22.10 +/- 0.68   0.006% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  23.91 +/- 1.16   0.004% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.87 +/- 1.73   0.004% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.84 +/- 1.49   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  27.03 +/- 1.11   0.002% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 162.6:
    * O T HA    LYS+  65 - QB    LYS+  65   2.40 +/- 0.09  99.960% * 98.7802% (0.92  10.0 10.00   6.30 162.61) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65  10.48 +/- 1.50   0.021% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.05 +/- 1.10   0.003% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.89 +/- 1.08   0.008% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  15.06 +/- 0.77   0.002% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  15.79 +/- 1.35   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.26 +/- 0.55   0.002% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  16.89 +/- 1.18   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  17.92 +/- 1.21   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  20.74 +/- 0.51   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.04 +/- 0.84   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  22.47 +/- 0.78   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.985, support = 5.56, residual support = 155.3:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.49 +/- 0.12  92.382% * 57.5064% (1.00  10.0 10.00   5.58 162.61) =  94.665%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.54 +/- 0.87   7.170% * 41.7582% (0.73   1.0 10.00   5.33  25.22) =   5.335%  kept
          HD3   LYS+  74 - QB    LYS+  65   7.47 +/- 1.86   0.377% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  65  13.61 +/- 1.46   0.005% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65   9.33 +/- 1.41   0.051% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  13.52 +/- 0.92   0.004% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.49 +/- 1.35   0.005% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.77 +/- 0.84   0.005% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.57 +/- 1.39   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.76 +/- 1.37   0.001% *  0.0101% (0.18   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 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 162.6:
    * O T QD    LYS+  65 - QB    LYS+  65   2.10 +/- 0.13  99.908% * 97.4795% (1.00  10.0 10.00   5.05 162.61) = 100.000%  kept
          HD2   LYS+  74 - QB    LYS+  65   7.86 +/- 1.79   0.065% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  65   9.03 +/- 0.82   0.019% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.14 +/- 0.72   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  12.86 +/- 1.07   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.97 +/- 0.81   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  12.53 +/- 1.21   0.003% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.41 +/- 1.09   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.75 +/- 1.33   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  18.07 +/- 0.72   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.98 +/- 1.10   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 5.05, residual support = 162.6:
    *   T QE    LYS+  65 - QB    LYS+  65   3.28 +/- 0.49  99.971% * 98.8300% (1.00 10.00   5.05 162.61) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.24 +/- 2.00   0.013% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  16.23 +/- 1.61   0.011% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  20.41 +/- 0.59   0.002% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  20.93 +/- 0.84   0.002% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.48 +/- 0.92   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 162.6:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.54 +/- 0.50  99.938% * 97.8884% (0.92  10.0 10.00   5.27 162.61) = 100.000%  kept
        T HA    ALA  120 - HG2   LYS+  65  14.85 +/- 1.71   0.016% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+  65  11.56 +/- 1.86   0.030% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  16.90 +/- 1.45   0.005% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  16.68 +/- 1.87   0.002% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  16.24 +/- 1.27   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.94 +/- 0.85   0.003% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  18.58 +/- 1.64   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.87 +/- 1.62   0.001% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  22.04 +/- 1.08   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  22.29 +/- 1.66   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  24.16 +/- 1.30   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.58, residual support = 162.6:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.49 +/- 0.12  99.131% * 99.0387% (1.00  10.0 10.00   5.58 162.61) =  99.997%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.16 +/- 0.64   0.557% *  0.5607% (0.57   1.0 10.00   0.02  25.22) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65   8.71 +/- 2.11   0.301% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  12.81 +/- 1.52   0.008% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  15.34 +/- 1.24   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.60 +/- 0.97   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.02 +/- 1.13   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  19.39 +/- 0.97   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.43, residual support = 162.6:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.30 +/- 0.08  99.498% * 96.4735% (1.00  10.0 10.00   4.43 162.61) =  99.997%  kept
        T HD2   LYS+  74 - HG2   LYS+  65   7.01 +/- 2.21   0.479% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.39 +/- 1.28   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65  10.19 +/- 1.01   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 +/- 1.00   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  22.47 +/- 1.12   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.63 +/- 1.82   0.001% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  18.72 +/- 1.30   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.14 +/- 1.06   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.90 +/- 1.56   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  23.08 +/- 1.29   0.000% *  0.1489% (0.15   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 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 162.6:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.71 +/- 0.28  99.991% * 98.8300% (1.00  10.0 10.00   4.43 162.61) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  15.97 +/- 2.96   0.005% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  16.68 +/- 2.26   0.003% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  21.74 +/- 1.78   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  21.59 +/- 0.93   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.03 +/- 1.68   0.000% *  0.0599% (0.61   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 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 162.6:
    *   T HA    LYS+  65 - QD    LYS+  65   3.42 +/- 0.41  97.681% * 96.9449% (0.92 10.00   4.75 162.61) =  99.999%  kept
          HA2   GLY   16 - QD    LYS+  65  11.27 +/- 1.68   0.167% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  16.15 +/- 1.15   0.012% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.39 +/- 1.00   0.670% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.93 +/- 1.23   0.034% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   7.92 +/- 0.78   0.800% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  16.24 +/- 1.76   0.013% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  15.25 +/- 1.79   0.024% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  16.25 +/- 1.41   0.012% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  15.75 +/- 1.41   0.017% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  15.84 +/- 1.07   0.012% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.95 +/- 0.83   0.217% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.49 +/- 1.07   0.004% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  17.88 +/- 1.64   0.006% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  14.01 +/- 1.95   0.030% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  21.77 +/- 1.32   0.002% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  17.68 +/- 1.85   0.009% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  16.88 +/- 1.67   0.012% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  14.54 +/- 1.27   0.024% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.90 +/- 0.76   0.014% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.03 +/- 1.94   0.012% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.27 +/- 1.74   0.015% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  20.78 +/- 1.11   0.003% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  14.39 +/- 0.79   0.024% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.62 +/- 1.06   0.009% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.53 +/- 1.39   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.16 +/- 1.94   0.041% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.89 +/- 0.78   0.011% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.74 +/- 1.08   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  16.11 +/- 1.95   0.018% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  15.52 +/- 1.63   0.020% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.78 +/- 1.75   0.004% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  18.20 +/- 1.96   0.007% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  20.25 +/- 1.93   0.003% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.17 +/- 1.44   0.011% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.08 +/- 1.68   0.004% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  17.31 +/- 2.53   0.014% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  17.51 +/- 1.68   0.008% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  21.46 +/- 1.29   0.002% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.73 +/- 1.47   0.004% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  20.69 +/- 1.78   0.003% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  21.51 +/- 1.45   0.002% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.25 +/- 1.99   0.002% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  21.61 +/- 1.07   0.002% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.26 +/- 1.89   0.002% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  22.87 +/- 1.31   0.001% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.56 +/- 1.07   0.002% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  19.77 +/- 1.22   0.004% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  20.06 +/- 1.40   0.003% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.41 +/- 1.28   0.001% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  20.03 +/- 0.99   0.003% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.36 +/- 2.34   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  30.24 +/- 2.14   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.79 +/- 1.83   0.001% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  29.68 +/- 1.69   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.03 +/- 1.73   0.000% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.40 +/- 2.18   0.001% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.33 +/- 1.25   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  33.14 +/- 0.96   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  32.36 +/- 1.76   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.08 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.882, support = 5.01, residual support = 162.1:
    * O T QB    LYS+  65 - QD    LYS+  65   2.10 +/- 0.13  56.975% * 77.3143% (1.00  10.0 10.00   5.05 162.61) =  84.375%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.32  42.587% * 19.1545% (0.25  10.0 10.00   4.75 159.43) =  15.625%  kept
          QB    LYS+  66 - QD    LYS+  65   6.07 +/- 0.41   0.102% *  0.0438% (0.57   1.0  1.00   0.02  25.22) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.48 +/- 1.71   0.032% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   8.47 +/- 2.01   0.056% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.41 +/- 1.06   0.019% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.31 +/- 0.93   0.185% *  0.0049% (0.06   1.0  1.00   0.02  22.41) =   0.000%
        T HB    VAL   41 - QD    LYS+  38   9.53 +/- 1.11   0.010% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.33 +/- 1.15   0.005% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   8.93 +/- 1.26   0.019% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.51 +/- 1.03   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  15.49 +/- 1.09   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.91 +/- 1.37   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.35 +/- 0.75   0.004% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.30 +/- 1.04   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.97 +/- 0.81   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.41 +/- 1.09   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  19.85 +/- 1.34   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.75 +/- 1.33   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.98 +/- 1.10   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.94 +/- 2.02   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.73 +/- 1.05   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.51 +/- 1.18   0.002% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.41 +/- 0.83   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.04 +/- 1.19   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  16.92 +/- 1.39   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.52 +/- 1.57   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  17.37 +/- 0.92   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.70 +/- 1.76   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.70 +/- 2.55   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.88 +/- 1.67   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.96 +/- 1.51   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.91 +/- 1.41   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.26 +/- 2.35   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.45 +/- 1.83   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  24.00 +/- 2.25   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  27.97 +/- 2.05   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  27.62 +/- 1.55   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  29.97 +/- 1.78   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.35 +/- 1.54   0.000% *  0.0072% (0.09   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 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 162.6:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.30 +/- 0.08  81.656% * 94.3122% (1.00  10.0 10.00   4.43 162.61) =  99.984%  kept
        T HD3   LYS+  74 - QD    LYS+  65   6.71 +/- 1.80   3.079% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  66 - QD    LYS+  65   6.15 +/- 0.99   0.407% *  0.6848% (0.73   1.0 10.00   0.02  25.22) =   0.004%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.41 +/- 0.34  10.078% *  0.0253% (0.03  10.0  1.00   0.02 315.01) =   0.003%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.76 +/- 0.24   4.489% *  0.0409% (0.04  10.0  1.00   0.02 315.01) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65   8.64 +/- 1.56   0.053% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   6.77 +/- 0.91   0.175% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  15.63 +/- 1.58   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  14.25 +/- 2.76   0.003% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  15.44 +/- 1.61   0.001% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  13.06 +/- 1.40   0.003% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  15.54 +/- 1.30   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.67 +/- 1.79   0.002% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.00 +/- 0.70   0.025% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.95 +/- 1.98   0.001% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.17 +/- 1.49   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  13.84 +/- 2.57   0.003% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.60 +/- 0.90   0.010% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.61 +/- 1.09   0.000% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  20.39 +/- 1.80   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  20.38 +/- 2.04   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.30 +/- 0.96   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  19.97 +/- 0.93   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.05 +/- 1.62   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 +/- 1.00   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  22.47 +/- 1.12   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  12.41 +/- 1.20   0.004% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.13 +/- 0.56   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.90 +/- 1.56   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  16.75 +/- 1.32   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  23.08 +/- 1.29   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  25.34 +/- 1.39   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  19.25 +/- 1.40   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.09 +/- 1.92   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.98 +/- 1.70   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.83 +/- 0.99   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  21.39 +/- 1.09   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.80 +/- 1.16   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.60 +/- 1.85   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  24.14 +/- 1.69   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.01 +/- 2.50   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.03 +/- 2.51   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  26.13 +/- 1.23   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.11 +/- 1.87   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  24.80 +/- 1.04   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  25.89 +/- 0.82   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.25 +/- 2.36   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.97 +/- 1.82   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  23.50 +/- 1.51   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.08 +/- 2.28   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 = 162.6:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.881% * 97.0780% (1.00  10.0 10.00   4.00 162.61) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  10.40 +/- 1.26   0.009% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.07 +/- 1.04   0.100% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  15.45 +/- 2.53   0.001% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  15.66 +/- 1.42   0.001% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.94 +/- 1.59   0.004% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.33 +/- 1.86   0.002% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  15.41 +/- 2.03   0.001% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.56 +/- 1.30   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  21.95 +/- 1.20   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.48 +/- 1.39   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  21.69 +/- 1.29   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  16.72 +/- 2.16   0.001% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  20.85 +/- 1.57   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  20.78 +/- 1.15   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.51 +/- 0.78   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.18 +/- 1.49   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  19.81 +/- 2.14   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.76 +/- 1.80   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.53 +/- 1.43   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  22.58 +/- 1.28   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.74 +/- 0.94   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.63 +/- 2.05   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  24.80 +/- 1.61   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  24.20 +/- 2.03   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  31.72 +/- 2.07   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  27.21 +/- 0.97   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  31.69 +/- 1.49   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  32.35 +/- 2.31   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  32.38 +/- 1.78   0.000% *  0.0090% (0.09   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 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.908, support = 4.72, residual support = 159.8:
    *   T HA    LYS+  65 - QE    LYS+  65   4.21 +/- 0.75  83.524% * 88.0388% (0.92 10.00   4.75 162.61) =  98.136%  kept
        T HA    GLN   32 - QE    LYS+  33   6.94 +/- 1.42  14.382% *  9.7024% (0.10 10.00   3.32  12.61) =   1.862%  kept
          HA2   GLY   16 - QE    LYS+  33  10.20 +/- 2.25   1.343% *  0.0473% (0.50  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  65 - QE    LYS+  33  15.00 +/- 2.42   0.074% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  65  11.87 +/- 2.26   0.266% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  16.97 +/- 1.44   0.028% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.76 +/- 1.71   0.077% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  14.70 +/- 2.36   0.093% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  15.75 +/- 1.56   0.048% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  21.57 +/- 1.85   0.007% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.32 +/- 2.00   0.028% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  16.58 +/- 1.90   0.037% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  21.67 +/- 1.66   0.006% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  20.50 +/- 1.60   0.009% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.48 +/- 0.78   0.030% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.34 +/- 1.31   0.011% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.72 +/- 1.00   0.010% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.40 +/- 1.67   0.006% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  22.71 +/- 2.09   0.005% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  22.68 +/- 1.85   0.005% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  22.54 +/- 1.56   0.005% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.74 +/- 1.12   0.004% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.70 +/- 1.69   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  29.06 +/- 1.47   0.001% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 5.05, residual support = 162.3:
    *   T QB    LYS+  65 - QE    LYS+  65   3.28 +/- 0.49  94.724% * 88.0295% (1.00 10.00   5.05 162.61) =  99.831%  kept
          QB    LYS+  66 - QE    LYS+  65   7.02 +/- 0.69   1.269% * 10.9533% (0.57  1.00   4.40  25.22) =   0.166%
          HB2   LEU   71 - QE    LYS+  33   7.10 +/- 1.92   2.677% *  0.0452% (0.51  1.00   0.02   0.02) =   0.001%
          HB3   GLN   17 - QE    LYS+  65   8.95 +/- 2.33   0.788% *  0.0534% (0.61  1.00   0.02   0.02) =   0.001%
        T QB    LYS+  65 - QE    LYS+  33  15.24 +/- 2.00   0.012% *  0.4525% (0.51 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  10.52 +/- 2.12   0.194% *  0.0274% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33   9.35 +/- 0.95   0.247% *  0.0170% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.45 +/- 1.62   0.025% *  0.0878% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  14.76 +/- 1.41   0.018% *  0.0444% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.65 +/- 1.28   0.009% *  0.0735% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  15.85 +/- 1.13   0.010% *  0.0330% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.93 +/- 1.70   0.010% *  0.0256% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  20.71 +/- 1.01   0.002% *  0.0863% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.54 +/- 1.09   0.012% *  0.0113% (0.13  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  19.41 +/- 1.00   0.003% *  0.0220% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.61 +/- 1.12   0.001% *  0.0378% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 162.6:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.71 +/- 0.28  91.546% * 98.8048% (1.00  10.0 10.00   4.43 162.61) =  99.996%  kept
          QD    LYS+  66 - QE    LYS+  65   7.09 +/- 1.38   2.854% *  0.0717% (0.73   1.0  1.00   0.02  25.22) =   0.002%
          HD3   LYS+  74 - QE    LYS+  65   6.50 +/- 2.61   4.655% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - QE    LYS+  33   7.22 +/- 1.36   0.612% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  65   8.42 +/- 2.23   0.253% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  15.97 +/- 2.96   0.004% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  12.85 +/- 1.76   0.011% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  12.78 +/- 1.83   0.013% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.30 +/- 1.59   0.030% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.39 +/- 1.37   0.003% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  14.99 +/- 1.10   0.004% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.02 +/- 2.11   0.002% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.29 +/- 1.54   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  14.85 +/- 1.74   0.005% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.40 +/- 1.22   0.002% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  21.00 +/- 2.40   0.001% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.82 +/- 1.27   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.46 +/- 1.54   0.001% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.33 +/- 1.88   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.14 +/- 1.81   0.000% *  0.0089% (0.09   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 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 162.6:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.708% * 96.2302% (1.00  10.0 10.00   4.00 162.61) = 100.000%  kept
          HD2   LYS+  74 - QE    LYS+  65   7.22 +/- 2.33   0.249% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  33  10.40 +/- 1.26   0.009% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.97 +/- 1.37   0.027% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  15.45 +/- 2.53   0.001% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  15.66 +/- 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  20.56 +/- 1.30   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.66 +/- 1.17   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  13.87 +/- 1.89   0.002% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  21.95 +/- 1.20   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.45 +/- 1.89   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  15.90 +/- 1.32   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  17.80 +/- 1.44   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.07 +/- 1.43   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.48 +/- 1.39   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  21.69 +/- 1.29   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.57 +/- 1.81   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.74 +/- 1.37   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.76 +/- 1.80   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.80 +/- 2.27   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.53 +/- 1.43   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  24.89 +/- 1.14   0.000% *  0.0186% (0.19   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 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 111.6:
    * O T QB    LYS+  66 - HA    LYS+  66   2.43 +/- 0.07  95.671% * 86.1372% (1.00  10.0 10.00   4.99 112.19) =  99.330%  kept
          QB    LYS+  65 - HA    LYS+  66   4.11 +/- 0.19   4.280% * 12.9912% (0.57   1.0  1.00   5.33  25.22) =   0.670%  kept
          HG    LEU  123 - HA    LYS+  66  10.08 +/- 2.11   0.038% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  12.38 +/- 1.27   0.007% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  15.73 +/- 0.83   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.62 +/- 1.09   0.000% *  0.4877% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.97 +/- 0.88   0.000% *  0.0773% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  19.40 +/- 1.24   0.000% *  0.0719% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  20.07 +/- 1.43   0.000% *  0.0592% (0.69   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 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    * O T QG    LYS+  66 - HA    LYS+  66   2.51 +/- 0.26  98.107% * 98.9829% (1.00  10.0 10.00   4.31 112.19) =  99.995%  kept
        T HG    LEU   67 - HA    LYS+  66   5.87 +/- 1.03   1.165% *  0.3715% (0.38   1.0 10.00   0.02  10.78) =   0.004%
          HB3   LEU   67 - HA    LYS+  66   6.13 +/- 0.35   0.578% *  0.0936% (0.95   1.0  1.00   0.02  10.78) =   0.001%
          QB    ALA   61 - HA    LYS+  66   7.87 +/- 0.41   0.131% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  13.10 +/- 0.93   0.006% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.65 +/- 1.82   0.004% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.46 +/- 1.17   0.004% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.02 +/- 0.98   0.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  17.62 +/- 1.21   0.001% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  21.35 +/- 1.63   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.36 +/- 2.12   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  21.51 +/- 1.09   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    *   T QD    LYS+  66 - HA    LYS+  66   2.42 +/- 0.30  98.619% * 98.7926% (1.00 10.00   4.31 112.19) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.19 +/- 0.85   1.340% *  0.0717% (0.73  1.00   0.02  25.22) =   0.001%
        T HD2   LYS+ 121 - HA    LYS+  66  13.16 +/- 2.22   0.009% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  11.85 +/- 2.16   0.016% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  12.92 +/- 2.24   0.009% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  13.39 +/- 1.62   0.005% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  16.85 +/- 0.97   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  17.95 +/- 2.11   0.001% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.34 +/- 1.76   0.000% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.2:
    *   T QE    LYS+  66 - HA    LYS+  66   4.16 +/- 0.30  99.316% * 99.6609% (1.00 10.00   3.74 112.19) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66   9.88 +/- 0.81   0.665% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  18.46 +/- 1.36   0.016% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.50 +/- 1.01   0.004% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.99, residual support = 112.2:
    * O T HA    LYS+  66 - QB    LYS+  66   2.43 +/- 0.07  99.978% * 99.9488% (1.00  10.0 10.00   4.99 112.19) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66  10.36 +/- 0.98   0.021% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  21.53 +/- 0.75   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  20.68 +/- 0.49   0.000% *  0.0154% (0.15   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 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  98.918% * 98.2238% (1.00  10.0 10.00   4.31 112.19) =  99.997%  kept
        T HG    LEU   67 - QB    LYS+  66   5.37 +/- 0.97   0.641% *  0.3686% (0.38   1.0 10.00   0.02  10.78) =   0.002%
          HB3   LEU   67 - QB    LYS+  66   5.49 +/- 0.45   0.324% *  0.0929% (0.95   1.0  1.00   0.02  10.78) =   0.000%
          QB    ALA   61 - QB    LYS+  66   6.57 +/- 0.45   0.102% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.88 +/- 1.72   0.007% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  11.09 +/- 0.98   0.005% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.91 +/- 1.99   0.000% *  0.8520% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  14.38 +/- 0.80   0.001% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.01 +/- 1.18   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.70 +/- 0.99   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  18.64 +/- 1.49   0.000% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  18.63 +/- 1.17   0.000% *  0.0172% (0.18   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 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    * O T QD    LYS+  66 - QB    LYS+  66   2.23 +/- 0.15  99.462% * 98.1588% (1.00  10.0 10.00   4.31 112.19) =  99.996%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.16 +/- 0.64   0.442% *  0.7128% (0.73   1.0 10.00   0.02  25.22) =   0.003%
        T HD2   LYS+ 121 - QB    LYS+  66   9.77 +/- 1.84   0.036% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  66   9.63 +/- 1.96   0.038% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  10.60 +/- 1.68   0.013% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  12.09 +/- 1.12   0.005% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  14.82 +/- 1.90   0.002% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.38 +/- 0.67   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.91 +/- 1.68   0.001% *  0.0556% (0.57   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 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 112.2:
    *   T QE    LYS+  66 - QB    LYS+  66   3.19 +/- 0.51  99.687% * 99.6609% (1.00 10.00   3.73 112.19) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.13 +/- 0.92   0.302% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  16.06 +/- 0.89   0.009% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  21.11 +/- 0.81   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    * O T HA    LYS+  66 - QG    LYS+  66   2.51 +/- 0.26  98.233% * 99.8680% (1.00  10.0 10.00   4.31 112.19) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.87 +/- 1.03   1.169% *  0.0769% (0.08   1.0 10.00   0.02  10.78) =   0.001%
          HA1   GLY   16 - HG    LEU   67   7.75 +/- 2.02   0.576% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66  10.94 +/- 1.30   0.020% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.47 +/- 1.24   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  21.74 +/- 0.87   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  19.22 +/- 1.80   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  21.42 +/- 1.61   0.000% *  0.0012% (0.01   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 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.31, residual support = 111.7:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  95.682% * 85.2622% (1.00  10.0 10.00   4.31 112.19) =  99.490%  kept
          QB    LYS+  65 - QG    LYS+  66   4.34 +/- 1.02   3.248% * 12.8577% (0.57   1.0  1.00   5.33  25.22) =   0.509%  kept
        T QB    LYS+  66 - HG    LEU   67   5.37 +/- 0.97   0.624% *  0.0656% (0.08   1.0 10.00   0.02  10.78) =   0.000%
          HG    LEU  123 - QG    LYS+  66   7.28 +/- 1.84   0.167% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  14.85 +/- 1.09   0.001% *  0.8065% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   6.79 +/- 1.16   0.144% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.03 +/- 2.01   0.007% *  0.0621% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  12.42 +/- 3.13   0.080% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   8.55 +/- 1.75   0.042% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  18.08 +/- 1.40   0.000% *  0.5857% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.53 +/- 1.22   0.002% *  0.0449% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.64 +/- 1.25   0.001% *  0.0765% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  16.27 +/- 2.60   0.001% *  0.0451% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.34 +/- 1.60   0.000% *  0.0712% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  19.00 +/- 1.54   0.000% *  0.0483% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.19 +/- 2.50   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  18.18 +/- 2.15   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.62 +/- 2.02   0.000% *  0.0037% (0.04   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 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 = 0.998, support = 4.0, residual support = 111.7:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  96.169% * 85.1899% (1.00  10.0 10.00   4.00 112.19) =  99.442%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.57 +/- 1.66   3.364% * 13.6629% (0.73   1.0  1.00   4.42  25.22) =   0.558%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  10.43 +/- 2.25   0.031% *  0.6821% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG    LEU   67   6.85 +/- 1.33   0.270% *  0.0656% (0.08   1.0 10.00   0.02  10.78) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.42 +/- 2.14   0.012% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  12.22 +/- 3.08   0.012% *  0.0525% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   7.79 +/- 1.51   0.094% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  11.43 +/- 2.02   0.006% *  0.0448% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  11.27 +/- 2.43   0.009% *  0.0246% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  13.01 +/- 1.33   0.002% *  0.0320% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  11.71 +/- 3.03   0.012% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  10.78 +/- 2.74   0.013% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.94 +/- 2.17   0.001% *  0.0585% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.19 +/- 0.57   0.000% *  0.0551% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  16.49 +/- 1.85   0.000% *  0.0482% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  14.11 +/- 3.12   0.004% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  13.98 +/- 1.63   0.001% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.90 +/- 2.37   0.000% *  0.0037% (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 = 3.38, residual support = 112.2:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.14  99.637% * 99.5585% (1.00  10.0 10.00   3.38 112.19) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   8.25 +/- 1.00   0.052% *  0.0766% (0.08   1.0 10.00   0.02  10.78) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.75 +/- 1.45   0.296% *  0.0024% (0.02   1.0  1.00   0.02   2.94) =   0.000%
          HB2   ASN   69 - QG    LYS+  66   9.76 +/- 1.19   0.013% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  17.01 +/- 0.95   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  16.34 +/- 2.06   0.001% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.19 +/- 1.26   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.80 +/- 1.99   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.2:
    *   T HA    LYS+  66 - QD    LYS+  66   2.42 +/- 0.30  99.964% * 99.8184% (1.00 10.00   4.31 112.19) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  13.16 +/- 2.22   0.009% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66  11.02 +/- 1.38   0.025% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.82 +/- 1.10   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  22.61 +/- 0.85   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  17.37 +/- 2.33   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.99 +/- 2.25   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  24.29 +/- 1.17   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.34, residual support = 109.9:
    * O T QB    LYS+  66 - QD    LYS+  66   2.23 +/- 0.15  95.213% * 63.5425% (1.00  10.0 10.00   4.31 112.19) =  97.355%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.54 +/- 0.87   4.568% * 35.9749% (0.57   1.0 10.00   5.33  25.22) =   2.645%  kept
          HG    LEU  123 - QD    LYS+  66   7.85 +/- 2.19   0.128% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121   9.77 +/- 1.84   0.033% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.37 +/- 0.58   0.038% *  0.0045% (0.07   1.0  1.00   0.02   2.19) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  12.87 +/- 1.32   0.004% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.61 +/- 1.46   0.003% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.61 +/- 0.76   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.80 +/- 1.40   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.20 +/- 1.83   0.004% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.35 +/- 1.28   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  13.98 +/- 1.62   0.002% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.97 +/- 2.05   0.002% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.85 +/- 1.41   0.000% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  13.96 +/- 1.52   0.002% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.98 +/- 1.65   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.69 +/- 2.39   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.00 +/- 1.74   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 112.2:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.499% * 98.6304% (1.00  10.0 10.00   4.00 112.19) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.85 +/- 1.33   0.270% *  0.3702% (0.38   1.0 10.00   0.02  10.78) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.20 +/- 0.61   0.076% *  0.0933% (0.95   1.0  1.00   0.02  10.78) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.49 +/- 0.80   0.063% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.43 +/- 2.25   0.031% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.01 +/- 2.33   0.017% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121   9.88 +/- 1.38   0.012% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  12.22 +/- 3.08   0.012% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.57 +/- 2.11   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.96 +/- 1.11   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  11.85 +/- 2.19   0.006% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  16.09 +/- 0.97   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.92 +/- 1.28   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.43 +/- 1.51   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.03 +/- 1.88   0.004% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.60 +/- 1.00   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.92 +/- 2.29   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  20.47 +/- 1.80   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  16.82 +/- 2.03   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  20.52 +/- 1.30   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  19.75 +/- 2.01   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  20.80 +/- 2.67   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  23.49 +/- 2.34   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  22.98 +/- 1.66   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.2:
    * O T QE    LYS+  66 - QD    LYS+  66   2.08 +/- 0.03  99.961% * 99.4957% (1.00  10.0 10.00   3.31 112.19) = 100.000%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  10.97 +/- 2.35   0.019% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  66   9.99 +/- 1.18   0.012% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  17.66 +/- 1.21   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  12.98 +/- 3.01   0.007% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.72 +/- 1.06   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  22.27 +/- 1.15   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.62 +/- 2.23   0.000% *  0.0107% (0.11   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 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 112.2:
    *   T HA    LYS+  66 - QE    LYS+  66   4.16 +/- 0.30  96.601% * 99.7309% (1.00 10.00   3.74 112.19) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   7.69 +/- 0.74   3.152% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  18.46 +/- 1.36   0.015% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  12.42 +/- 1.43   0.212% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  24.01 +/- 1.19   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  23.54 +/- 1.00   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.38 +/- 1.07   0.010% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  24.46 +/- 0.92   0.003% *  0.0046% (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 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.996, support = 3.74, residual support = 111.4:
    *   T QB    LYS+  66 - QE    LYS+  66   3.19 +/- 0.51  89.617% * 87.7536% (1.00 10.00   3.73 112.19) =  99.097%  kept
          QB    LYS+  65 - QE    LYS+  66   5.91 +/- 0.85   6.205% * 11.5212% (0.57  1.00   4.64  25.22) =   0.901%  kept
          HG    LEU  123 - QE    LYS+  66   6.61 +/- 2.25   4.077% *  0.0497% (0.57  1.00   0.02   0.02) =   0.003%
        T QB    LYS+  66 - HB2   ASP-  76  16.06 +/- 0.89   0.008% *  0.1824% (0.21 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  14.16 +/- 1.26   0.018% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.62 +/- 0.90   0.006% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  16.69 +/- 1.51   0.006% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  13.54 +/- 1.40   0.024% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.87 +/- 1.62   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  19.24 +/- 1.50   0.002% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  16.04 +/- 1.20   0.008% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  15.98 +/- 0.59   0.007% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.96 +/- 1.75   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.62 +/- 2.30   0.009% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  18.23 +/- 0.85   0.003% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.85 +/- 0.78   0.004% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  21.36 +/- 0.68   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  24.46 +/- 1.36   0.001% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 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 = 3.38, residual support = 112.2:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.14  97.983% * 98.5716% (1.00  10.0 10.00   3.38 112.19) = 100.000%  kept
        T HG    LEU   67 - QE    LYS+  66   8.25 +/- 1.00   0.051% *  0.3700% (0.38   1.0 10.00   0.02  10.78) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   5.90 +/- 1.35   0.743% *  0.0133% (0.13   1.0  1.00   0.02   2.85) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.80 +/- 1.28   1.097% *  0.0036% (0.04   1.0  1.00   0.02   2.85) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.35 +/- 0.79   0.039% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.49 +/- 0.57   0.030% *  0.0932% (0.95   1.0  1.00   0.02  10.78) =   0.000%
          QB    ALA   61 - HB2   ASP-  76   9.23 +/- 1.24   0.022% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  12.19 +/- 2.36   0.008% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76   9.74 +/- 1.55   0.018% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  17.01 +/- 0.95   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.65 +/- 1.37   0.002% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  15.23 +/- 1.64   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  16.34 +/- 2.06   0.001% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  17.48 +/- 0.96   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.49 +/- 1.19   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.55 +/- 0.90   0.002% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  16.10 +/- 1.54   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.73 +/- 1.81   0.001% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  22.40 +/- 2.33   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  21.69 +/- 1.78   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  17.81 +/- 1.53   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  19.45 +/- 1.33   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  21.67 +/- 1.49   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  24.37 +/- 1.23   0.000% *  0.0178% (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 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 112.2:
    * O T QD    LYS+  66 - QE    LYS+  66   2.08 +/- 0.03  99.432% * 98.3437% (1.00  10.0 10.00   3.31 112.19) = 100.000%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  10.97 +/- 2.35   0.019% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  66   8.43 +/- 1.44   0.076% *  0.0714% (0.73   1.0  1.00   0.02  25.22) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.44 +/- 1.34   0.188% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   6.44 +/- 1.17   0.251% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.99 +/- 2.38   0.010% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.93 +/- 0.80   0.018% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  13.28 +/- 1.88   0.002% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  17.66 +/- 1.21   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  17.13 +/- 2.19   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  13.46 +/- 2.17   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  14.98 +/- 1.18   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  17.12 +/- 2.20   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  17.83 +/- 0.65   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  22.27 +/- 1.15   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.29 +/- 1.85   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  22.12 +/- 1.33   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.17 +/- 0.73   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 35.4:
    * O T HB2   PRO   68 - HA    PRO   68   2.67 +/- 0.15  99.995% * 98.6006% (0.84  10.0 10.00   2.00  35.44) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.05 +/- 1.51   0.004% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  24.60 +/- 1.32   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  19.06 +/- 1.20   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 35.4:
    * O T HA    PRO   68 - HB2   PRO   68   2.67 +/- 0.15 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.44) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  24.60 +/- 1.32   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.1:
    * O T HB2   ASN   69 - HA    ASN   69   2.52 +/- 0.20  99.956% * 99.7955% (1.00  10.0 10.00   3.63  61.12) = 100.000%  kept
          QE    LYS+  66 - HA    ASN   69  10.49 +/- 1.17   0.031% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   69  12.29 +/- 2.03   0.013% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  20.99 +/- 0.99   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  25.21 +/- 1.07   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.1:
    * O T HB3   ASN   69 - HA    ASN   69   2.76 +/- 0.26  99.922% * 99.7714% (1.00  10.0 10.00   3.31  61.12) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.74 +/- 0.79   0.064% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  12.96 +/- 1.49   0.013% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  22.97 +/- 1.24   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.1:
    * O T HA    ASN   69 - HB2   ASN   69   2.52 +/- 0.20  99.996% * 99.8126% (1.00  10.0 10.00   3.63  61.12) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  13.99 +/- 0.50   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  22.79 +/- 0.83   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 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.1:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  61.12) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  10.83 +/- 0.86   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  14.28 +/- 1.31   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  23.75 +/- 1.25   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.1:
    * O T HA    ASN   69 - HB3   ASN   69   2.76 +/- 0.26  99.989% * 99.8126% (1.00  10.0 10.00   3.31  61.12) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  13.54 +/- 0.99   0.011% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  22.45 +/- 1.16   0.000% *  0.0978% (0.98   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 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.1:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.995% * 99.7955% (1.00  10.0 10.00   3.97  61.12) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  10.54 +/- 1.70   0.004% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  13.37 +/- 2.10   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  21.88 +/- 1.18   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  25.98 +/- 1.30   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 = 81.8:
    * O T HB    VAL   70 - HA    VAL   70   2.92 +/- 0.14  98.738% * 97.2460% (1.00  10.0 10.00   4.31  81.79) =  99.998%  kept
        T QG    GLN   17 - HA    VAL   70   8.47 +/- 0.97   0.205% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    SER   48   7.50 +/- 1.65   0.754% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70   9.59 +/- 1.08   0.116% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.08 +/- 1.38   0.054% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.25 +/- 0.39   0.032% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  11.12 +/- 0.58   0.035% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.10 +/- 1.33   0.049% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  20.86 +/- 1.65   0.001% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.88 +/- 2.05   0.002% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  22.48 +/- 1.39   0.001% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.46 +/- 1.57   0.006% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  21.24 +/- 0.70   0.001% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.92 +/- 0.39   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  18.17 +/- 0.97   0.002% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.62 +/- 0.99   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  20.54 +/- 1.63   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.19 +/- 1.69   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.85 +/- 1.81   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.26 +/- 0.95   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.81 +/- 0.82   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 80.7:
    * O T QG1   VAL   70 - HA    VAL   70   2.71 +/- 0.25  90.332% * 80.4516% (1.00  10.0 10.00   4.66  81.79) =  97.948%  kept
          QD1   LEU   71 - HA    VAL   70   4.60 +/- 0.94   8.859% * 17.1310% (0.92   1.0  1.00   4.61  31.09) =   2.045%  kept
        T QG1   VAL   18 - HA    VAL   70   6.78 +/- 1.13   0.641% *  0.7886% (0.98   1.0 10.00   0.02   0.02) =   0.007%
          HB3   LEU   63 - HA    VAL   70   9.27 +/- 1.28   0.092% *  0.0455% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.11 +/- 1.60   0.038% *  0.0743% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  15.43 +/- 1.53   0.004% *  0.3821% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  13.75 +/- 1.47   0.009% *  0.1797% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.67 +/- 0.80   0.018% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  19.48 +/- 1.73   0.001% *  0.3899% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  18.36 +/- 1.20   0.001% *  0.1833% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  20.31 +/- 1.35   0.001% *  0.1692% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  19.33 +/- 1.83   0.001% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  17.13 +/- 1.26   0.002% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  21.73 +/- 2.04   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  20.98 +/- 1.07   0.000% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  25.24 +/- 1.28   0.000% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.48 +/- 1.69   0.000% *  0.0236% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.28 +/- 0.97   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.8:
    * O T QG2   VAL   70 - HA    VAL   70   2.17 +/- 0.16  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.79) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  17.93 +/- 1.43   0.000% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  17.91 +/- 0.43   0.000% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 81.8:
    * O T HA    VAL   70 - HB    VAL   70   2.92 +/- 0.14  83.799% * 98.3567% (1.00  10.0 10.00   4.31  81.79) =  99.997%  kept
          HA    VAL   18 - QG    GLN   17   4.34 +/- 0.73  11.704% *  0.0125% (0.13   1.0  1.00   0.02  50.05) =   0.002%
          HA    VAL   18 - HB    VAL   70   6.75 +/- 0.71   0.753% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T HA    VAL   70 - QG    GLN   17   8.47 +/- 0.97   0.173% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    VAL   70   7.14 +/- 1.35   0.923% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    GLN   17   5.53 +/- 0.60   2.548% *  0.0036% (0.04   1.0  1.00   0.02  16.51) =   0.000%
          HB2   SER   37 - HB    VAL   70  11.54 +/- 0.74   0.025% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.10 +/- 1.27   0.006% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.73 +/- 0.72   0.006% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  11.37 +/- 1.75   0.038% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  22.48 +/- 1.39   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.32 +/- 1.56   0.013% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  21.24 +/- 0.70   0.001% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.60 +/- 0.89   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  20.86 +/- 1.65   0.001% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.88 +/- 2.05   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  15.53 +/- 1.64   0.005% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.17 +/- 2.13   0.002% *  0.0183% (0.19   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 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 = 5.14, residual support = 81.8:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  95.295% * 99.3444% (1.00  10.0 10.00   5.14  81.79) =  99.998%  kept
          QG1   VAL   18 - HB    VAL   70   5.51 +/- 1.16   0.733% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.001%
        T QG1   VAL   70 - QG    GLN   17   7.37 +/- 1.61   0.321% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QG    GLN   17   4.74 +/- 0.81   2.637% *  0.0181% (0.18   1.0  1.00   0.02  50.05) =   0.001%
          QD1   LEU   71 - HB    VAL   70   6.39 +/- 0.89   0.205% *  0.0917% (0.92   1.0  1.00   0.02  31.09) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.60 +/- 1.23   0.210% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   6.61 +/- 1.25   0.554% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.65 +/- 1.43   0.022% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.59 +/- 1.23   0.005% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.40 +/- 1.52   0.013% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  12.34 +/- 2.04   0.005% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  17.94 +/- 1.46   0.000% *  0.0112% (0.11   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 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.8:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.01  99.945% * 99.8146% (0.80  10.0 10.00   4.31  81.79) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   7.82 +/- 0.95   0.055% *  0.1854% (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 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.66, residual support = 81.8:
    * O T HA    VAL   70 - QG1   VAL   70   2.71 +/- 0.25  95.526% * 98.1637% (1.00  10.0 10.00   4.66  81.79) =  99.978%  kept
        T HA    VAL   18 - QG1   VAL   70   6.63 +/- 1.40   2.964% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.021%
          HA1   GLY   16 - QG1   VAL   70   6.47 +/- 1.19   1.428% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   9.90 +/- 0.90   0.048% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.11 +/- 1.35   0.018% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.83 +/- 0.93   0.011% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  19.48 +/- 1.73   0.001% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  18.36 +/- 1.20   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.40 +/- 0.93   0.003% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 81.8:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.626% * 98.7774% (1.00  10.0 10.00   5.14  81.79) =  99.997%  kept
        T QG    GLN   17 - QG1   VAL   70   7.37 +/- 1.61   0.327% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HB2   MET   96 - QG1   VAL   70   8.77 +/- 0.71   0.024% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.56 +/- 1.13   0.017% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70  11.38 +/- 0.71   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  14.48 +/- 1.31   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  18.41 +/- 1.02   0.000% *  0.0934% (0.95   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 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 = 4.66, residual support = 81.8:
    * O T QG2   VAL   70 - QG1   VAL   70   2.06 +/- 0.05 100.000% *100.0000% (0.80  10.0 10.00   4.66  81.79) = 100.000%  kept
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 81.8:
    * O T HA    VAL   70 - QG2   VAL   70   2.17 +/- 0.16  99.330% * 98.7631% (0.54  10.0 10.00   4.00  81.79) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   6.22 +/- 0.83   0.342% *  0.0678% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   6.81 +/- 1.31   0.287% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.88 +/- 0.71   0.029% *  0.0481% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.24 +/- 0.71   0.007% *  0.0857% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  17.93 +/- 1.43   0.000% *  0.5990% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  13.09 +/- 1.30   0.002% *  0.0988% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.59 +/- 0.75   0.002% *  0.0717% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  17.91 +/- 0.43   0.000% *  0.2463% (0.13   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 81.8:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.01  99.834% * 98.7774% (0.54  10.0 10.00   4.31  81.79) =  99.999%  kept
        T QG    GLN   17 - QG2   VAL   70   7.82 +/- 0.95   0.055% *  0.9790% (0.53   1.0 10.00   0.02   0.02) =   0.001%
          HB2   MET   96 - QG2   VAL   70   7.24 +/- 0.34   0.065% *  0.0755% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.38 +/- 0.90   0.035% *  0.0305% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70  10.19 +/- 0.47   0.008% *  0.0195% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.81 +/- 0.67   0.000% *  0.0934% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  13.70 +/- 0.77   0.001% *  0.0246% (0.13   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 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.66, residual support = 81.8:
    * O T QG1   VAL   70 - QG2   VAL   70   2.06 +/- 0.05  98.043% * 99.6017% (0.54  10.0 10.00   4.66  81.79) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   4.99 +/- 0.82   0.934% *  0.0919% (0.50   1.0  1.00   0.02  31.09) =   0.001%
          QG1   VAL   18 - QG2   VAL   70   5.17 +/- 0.75   0.704% *  0.0976% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   6.24 +/- 1.25   0.264% *  0.0564% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.85 +/- 1.36   0.029% *  0.0919% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.38 +/- 0.69   0.025% *  0.0604% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.7:
    * O T HB2   LEU   71 - HA    LEU   71   2.87 +/- 0.16  98.139% * 99.5520% (1.00  10.0 10.00   5.31 139.74) =  99.999%  kept
          HB3   GLN   17 - HA    LEU   71   6.24 +/- 1.11   1.357% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   71   7.75 +/- 0.71   0.357% *  0.0340% (0.34   1.0  1.00   0.02   0.97) =   0.000%
          QB    LYS+  65 - HA    LEU   71   9.85 +/- 1.00   0.070% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71   9.96 +/- 0.82   0.064% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  15.04 +/- 0.97   0.005% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.44 +/- 0.59   0.006% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  21.25 +/- 0.67   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.7:
    * O T HB3   LEU   71 - HA    LEU   71   2.41 +/- 0.22  99.997% * 99.6783% (1.00  10.0 10.00   4.31 139.74) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.85 +/- 0.54   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  19.38 +/- 0.66   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  25.12 +/- 1.47   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  24.85 +/- 1.21   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  25.67 +/- 1.48   0.000% *  0.0447% (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 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.995, support = 4.16, residual support = 132.8:
    *   T QD1   LEU   71 - HA    LEU   71   3.69 +/- 0.29  54.541% * 81.2204% (1.00 10.00   4.16 139.74) =  93.771%  kept
          QG1   VAL   70 - HA    LEU   71   5.02 +/- 0.87  15.041% * 17.6473% (0.92  1.00   4.71  31.09) =   5.619%  kept
          QG1   VAL   18 - HA    LEU   71   4.49 +/- 1.23  30.165% *  0.9555% (0.84  1.00   0.28   0.02) =   0.610%  kept
          HB3   LEU   63 - HA    LEU   71  10.18 +/- 1.31   0.186% *  0.0277% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.06 +/- 1.44   0.056% *  0.0812% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  15.36 +/- 0.55   0.011% *  0.0678% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 139.7:
    *   T QD2   LEU   71 - HA    LEU   71   2.36 +/- 0.48  84.621% * 99.6055% (1.00 10.00   5.00 139.74) =  99.992%  kept
          QD1   LEU   67 - HA    LEU   71   4.86 +/- 2.10  15.130% *  0.0447% (0.45  1.00   0.02   0.02) =   0.008%
          QD2   LEU   40 - HA    LEU   71   7.32 +/- 0.72   0.212% *  0.0409% (0.41  1.00   0.02   1.80) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  10.99 +/- 1.13   0.020% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.86 +/- 1.31   0.010% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.48 +/- 0.70   0.004% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  14.01 +/- 0.32   0.003% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 139.7:
    * O T HA    LEU   71 - HB2   LEU   71   2.87 +/- 0.16  99.922% * 99.9402% (1.00  10.0 10.00   5.31 139.74) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71  10.35 +/- 0.76   0.060% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  12.26 +/- 0.66   0.019% *  0.0375% (0.38   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 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.7:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00 100.000% * 99.6783% (1.00  10.0 10.00   4.97 139.74) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  15.91 +/- 1.04   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  20.54 +/- 1.20   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  26.95 +/- 1.66   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  26.54 +/- 1.13   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  27.09 +/- 1.60   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.25 +/- 0.16  99.306% * 99.6081% (1.00  10.0 10.00   4.97 139.74) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.82 +/- 0.44   0.411% *  0.0919% (0.92   1.0  1.00   0.02  31.09) =   0.000%
          QG1   VAL   18 - HB2   LEU   71   6.78 +/- 1.12   0.274% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.02 +/- 1.52   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  12.09 +/- 1.21   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  14.99 +/- 0.75   0.001% *  0.0832% (0.84   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 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.7:
    * O T QD2   LEU   71 - HB2   LEU   71   3.19 +/- 0.03  95.463% * 99.6055% (1.00  10.0 10.00   5.43 139.74) =  99.998%  kept
          QD1   LEU   67 - HB2   LEU   71   6.72 +/- 1.69   3.320% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - HB2   LEU   71   6.88 +/- 0.65   1.148% *  0.0409% (0.41   1.0  1.00   0.02   1.80) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  13.37 +/- 1.02   0.020% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  14.22 +/- 1.33   0.016% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.52 +/- 1.05   0.019% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  13.95 +/- 0.75   0.014% *  0.0564% (0.57   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 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 139.7:
    * O T HA    LEU   71 - HB3   LEU   71   2.41 +/- 0.22  99.962% * 99.9402% (1.00  10.0 10.00   4.31 139.74) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71  10.34 +/- 0.78   0.025% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.14 +/- 0.96   0.013% *  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 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.7:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.896% * 99.3538% (1.00  10.0 10.00   4.97 139.74) = 100.000%  kept
          HB3   GLN   17 - HB3   LEU   71   6.76 +/- 1.73   0.083% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU   71   8.03 +/- 1.07   0.017% *  0.0339% (0.34   1.0  1.00   0.02   0.97) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  11.50 +/- 1.24   0.002% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.60 +/- 0.95   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  15.15 +/- 0.97   0.000% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  15.12 +/- 1.22   0.000% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  23.14 +/- 0.61   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.84, residual support = 139.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.82 +/- 0.38  96.298% * 99.6081% (1.00  10.0 10.00   3.84 139.74) =  99.997%  kept
          QG1   VAL   18 - HB3   LEU   71   6.24 +/- 1.11   2.644% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   70 - HB3   LEU   71   6.35 +/- 0.67   1.024% *  0.0919% (0.92   1.0  1.00   0.02  31.09) =   0.001%
          QD1   LEU  123 - HB3   LEU   71  14.36 +/- 1.55   0.009% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  12.22 +/- 1.26   0.021% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  16.16 +/- 0.77   0.003% *  0.0832% (0.84   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 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.49 +/- 0.16  98.293% * 99.6055% (1.00  10.0 10.00   4.44 139.74) =  99.999%  kept
          QD1   LEU   67 - HB3   LEU   71   6.62 +/- 1.94   1.562% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HB3   LEU   71   7.87 +/- 0.80   0.129% *  0.0409% (0.41   1.0  1.00   0.02   1.80) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  12.60 +/- 1.24   0.007% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  14.05 +/- 1.03   0.004% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.41 +/- 1.24   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  14.74 +/- 0.72   0.003% *  0.0564% (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 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 139.7:
    *   T HA    LEU   71 - QD1   LEU   71   3.69 +/- 0.29  99.416% * 99.9402% (1.00 10.00   4.16 139.74) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   9.57 +/- 0.87   0.391% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71  10.72 +/- 0.65   0.193% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 139.7:
    * O T HB2   LEU   71 - QD1   LEU   71   2.25 +/- 0.16  99.420% * 99.5520% (1.00  10.0 10.00   4.97 139.74) = 100.000%  kept
          HB3   GLN   17 - QD1   LEU   71   7.14 +/- 1.32   0.218% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU   71   6.58 +/- 1.09   0.333% *  0.0340% (0.34   1.0  1.00   0.02   0.97) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.06 +/- 1.06   0.009% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.89 +/- 1.36   0.006% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.83 +/- 1.03   0.010% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.48 +/- 1.13   0.004% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  20.35 +/- 0.71   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 139.7:
    * O T HB3   LEU   71 - QD1   LEU   71   2.82 +/- 0.38  99.987% * 99.6783% (1.00  10.0 10.00   3.84 139.74) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  14.06 +/- 0.74   0.009% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  17.91 +/- 1.23   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  23.75 +/- 1.47   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  23.40 +/- 1.19   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  23.81 +/- 1.71   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.03 A, kept.
 
    Peak 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 = 4.28, residual support = 139.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.03 +/- 0.07  99.569% * 99.6055% (1.00  10.0 10.00   4.28 139.74) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   6.54 +/- 1.56   0.286% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   6.38 +/- 0.77   0.135% *  0.0409% (0.41   1.0  1.00   0.02   1.80) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.60 +/- 1.06   0.003% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.94 +/- 1.40   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  12.09 +/- 0.74   0.002% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  12.21 +/- 0.86   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 139.7:
    *   T HA    LEU   71 - QD2   LEU   71   2.36 +/- 0.48  99.816% * 99.9402% (1.00 10.00   5.00 139.74) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.53 +/- 0.68   0.091% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.49 +/- 0.58   0.093% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 139.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.19 +/- 0.03  91.021% * 99.3538% (1.00  10.0 10.00   5.43 139.74) =  99.994%  kept
          HB3   GLN   17 - QD2   LEU   71   5.41 +/- 1.17   7.568% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.005%
          HB    VAL   41 - QD2   LEU   71   6.99 +/- 0.77   1.077% *  0.0339% (0.34   1.0  1.00   0.02   0.97) =   0.000%
          QB    LYS+  65 - QD2   LEU   71   9.65 +/- 1.15   0.161% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.03 +/- 1.21   0.126% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  12.95 +/- 0.77   0.022% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.02 +/- 1.05   0.023% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  19.46 +/- 0.66   0.002% *  0.0796% (0.80   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 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 139.7:
    * O T HB3   LEU   71 - QD2   LEU   71   2.49 +/- 0.16  99.994% * 99.2790% (1.00  10.0 10.00   4.44 139.74) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  13.48 +/- 0.33   0.004% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  23.25 +/- 1.34   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.15 +/- 0.85   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  22.91 +/- 1.48   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  22.68 +/- 1.26   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 4.28, residual support = 139.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.03 +/- 0.07  98.373% * 99.6081% (1.00  10.0 10.00   4.28 139.74) =  99.999%  kept
          QG1   VAL   18 - QD2   LEU   71   4.81 +/- 0.86   1.090% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD2   LEU   71   5.75 +/- 1.03   0.526% *  0.0919% (0.92   1.0  1.00   0.02  31.09) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.53 +/- 1.51   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU   71  10.48 +/- 1.36   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  14.14 +/- 0.68   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 = 4.05, residual support = 91.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.57 +/- 0.14  99.689% * 99.8683% (0.64  10.0 10.00   4.05  91.85) = 100.000%  kept
          HA    ALA   64 - HA    PHE   72   7.58 +/- 0.77   0.293% *  0.0868% (0.55   1.0  1.00   0.02  30.96) =   0.000%
          HB3   ASN   69 - HA    PHE   72  11.20 +/- 0.70   0.017% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.61, residual support = 91.8:
    * O T HB3   PHE   72 - HA    PHE   72   2.55 +/- 0.14  99.770% * 99.4196% (0.66  10.0 10.00   4.61  91.85) = 100.000%  kept
          HB2   ASP-  44 - HA    PHE   72   8.97 +/- 0.90   0.102% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    PHE   72   8.90 +/- 1.17   0.079% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  10.87 +/- 1.40   0.030% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  11.12 +/- 0.64   0.016% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  17.83 +/- 1.28   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  16.39 +/- 0.98   0.002% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.69 +/- 1.63   0.001% *  0.0918% (0.61   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 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.05, residual support = 91.8:
    * O T HA    PHE   72 - HB2   PHE   72   2.57 +/- 0.14 100.000% *100.0000% (0.64  10.0 10.00   4.05  91.85) = 100.000%  kept
    Distance limit 3.87 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 = 4.19, residual support = 91.8:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.969% * 99.4196% (0.72  10.0 10.00   4.19  91.85) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.48 +/- 0.89   0.025% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72  10.18 +/- 1.16   0.003% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  12.32 +/- 1.27   0.001% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  14.46 +/- 1.04   0.000% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  16.99 +/- 1.49   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  12.85 +/- 0.69   0.001% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  20.14 +/- 1.37   0.000% *  0.0918% (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 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.61, residual support = 91.8:
    * O T HA    PHE   72 - HB3   PHE   72   2.55 +/- 0.14 100.000% *100.0000% (0.66  10.0 10.00   4.61  91.85) = 100.000%  kept
    Distance limit 3.58 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 = 4.19, residual support = 91.8:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.893% * 99.8683% (0.72  10.0 10.00   4.19  91.85) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   6.49 +/- 0.94   0.105% *  0.0868% (0.63   1.0  1.00   0.02  30.96) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  10.82 +/- 1.37   0.003% *  0.0449% (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 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 = 172.9:
    * O T HB2   LEU   73 - HA    LEU   73   2.49 +/- 0.17  99.990% * 99.4108% (1.00  10.0 10.00   5.00 172.94) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  15.38 +/- 1.01   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  16.52 +/- 1.80   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  15.80 +/- 0.93   0.002% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.62 +/- 0.59   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  20.14 +/- 1.03   0.000% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.14 +/- 1.07   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  19.57 +/- 0.59   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  21.09 +/- 1.39   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  26.09 +/- 1.04   0.000% *  0.0892% (0.90   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 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 172.9:
    * O T HB3   LEU   73 - HA    LEU   73   2.53 +/- 0.31  96.668% * 99.1728% (1.00  10.0 10.00   5.30 172.94) =  99.999%  kept
          HB3   LYS+  74 - HA    LEU   73   4.88 +/- 0.47   3.151% *  0.0174% (0.18   1.0  1.00   0.02  40.10) =   0.001%
          HB    VAL   42 - HA    LEU   73   9.07 +/- 0.74   0.076% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   73   9.92 +/- 0.97   0.034% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  10.85 +/- 1.45   0.020% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  14.30 +/- 1.89   0.009% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.57 +/- 0.70   0.015% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.81 +/- 0.94   0.014% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.02 +/- 0.65   0.007% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  17.37 +/- 1.28   0.002% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.55 +/- 1.39   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  17.39 +/- 0.59   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  24.94 +/- 1.35   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.41 +/- 2.44   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.74 +/- 1.64   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.9:
    *   T QD1   LEU   73 - HA    LEU   73   3.91 +/- 0.22  97.361% * 98.2281% (1.00 10.00   5.00 172.94) =  99.994%  kept
        T QD1   LEU   63 - HA    LEU   73  10.15 +/- 0.79   0.368% *  0.9823% (1.00 10.00   0.02   0.02) =   0.004%
          QD2   LEU   80 - HA    LEU   73   8.45 +/- 1.44   1.407% *  0.0787% (0.80  1.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   73  14.16 +/- 0.82   0.049% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.03 +/- 0.74   0.400% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.13 +/- 0.98   0.398% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  16.85 +/- 1.23   0.017% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.11 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 172.9:
    *   T QD2   LEU   73 - HA    LEU   73   3.13 +/- 0.35  98.347% * 99.4036% (1.00 10.00   6.16 172.94) =  99.999%  kept
          QG1   VAL   41 - HA    LEU   73   7.47 +/- 0.73   0.729% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU   73   7.23 +/- 0.99   0.766% *  0.0276% (0.28  1.00   0.02   1.30) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.70 +/- 0.75   0.147% *  0.0959% (0.97  1.00   0.02   1.35) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.12 +/- 1.49   0.002% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  15.55 +/- 0.82   0.008% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.30 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 172.9:
    * O T HA    LEU   73 - HB2   LEU   73   2.49 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.94) = 100.000%  kept
    Distance limit 4.12 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 = 5.3, residual support = 172.9:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.751% * 95.5463% (1.00  10.0 10.00   5.30 172.94) = 100.000%  kept
          HB3   LYS+  74 - HB2   LEU   73   4.99 +/- 0.63   0.237% *  0.0167% (0.18   1.0  1.00   0.02  40.10) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.11 +/- 1.25   0.004% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  12.60 +/- 1.41   0.001% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   LEU   73  10.34 +/- 0.83   0.003% *  0.0947% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  17.56 +/- 1.36   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  19.56 +/- 1.47   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  11.73 +/- 0.89   0.001% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  11.78 +/- 0.92   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  17.57 +/- 1.09   0.000% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  11.94 +/- 1.03   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.41 +/- 2.16   0.000% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  25.72 +/- 1.48   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  20.63 +/- 2.52   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.43 +/- 1.53   0.000% *  0.0167% (0.18   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 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.9:
    * O T QD1   LEU   73 - HB2   LEU   73   2.66 +/- 0.34  98.383% * 98.2281% (1.00  10.0 10.00   5.00 172.94) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   6.72 +/- 1.37   1.422% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73  11.13 +/- 0.82   0.024% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.55 +/- 0.91   0.143% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  14.89 +/- 0.91   0.004% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.26 +/- 0.79   0.023% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  17.68 +/- 1.42   0.002% *  0.0820% (0.84   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 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 172.9:
    * O T QD2   LEU   73 - HB2   LEU   73   2.62 +/- 0.37  98.580% * 98.6124% (1.00  10.0 10.00   6.16 172.94) =  99.999%  kept
          QG1   VAL   43 - HB2   LEU   73   6.99 +/- 1.13   1.090% *  0.0274% (0.28   1.0  1.00   0.02   1.30) =   0.000%
          HG    LEU   31 - HB2   LEU   73   8.51 +/- 1.01   0.129% *  0.0952% (0.97   1.0  1.00   0.02   1.35) =   0.000%
          QG1   VAL   41 - HB2   LEU   73   7.94 +/- 0.73   0.197% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  16.10 +/- 1.01   0.003% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  20.35 +/- 1.54   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.3, residual support = 172.9:
    * O T HA    LEU   73 - HB3   LEU   73   2.53 +/- 0.31 100.000% *100.0000% (1.00  10.0 10.00   5.30 172.94) = 100.000%  kept
    Distance limit 3.76 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 = 5.3, residual support = 172.9:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.999% * 98.2609% (1.00  10.0 10.00   5.30 172.94) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  17.57 +/- 1.11   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  16.38 +/- 2.24   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  15.84 +/- 1.17   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  26.55 +/- 1.76   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  20.12 +/- 1.62   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  16.58 +/- 1.05   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  15.95 +/- 0.79   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  19.93 +/- 1.34   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  22.62 +/- 1.42   0.000% *  0.0636% (0.65   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 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 = 5.29, residual support = 172.9:
    * O T QD1   LEU   73 - HB3   LEU   73   2.23 +/- 0.15  99.596% * 97.5376% (1.00  10.0 10.00   5.29 172.94) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.08 +/- 1.74   0.329% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   73  11.08 +/- 1.15   0.009% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  14.45 +/- 1.15   0.002% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   8.63 +/- 1.38   0.056% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.14 +/- 0.86   0.008% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  17.76 +/- 1.55   0.001% *  0.0815% (0.84   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 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.82, residual support = 172.9:
    * O T QD2   LEU   73 - HB3   LEU   73   3.03 +/- 0.24  94.273% * 99.1570% (1.00  10.0 10.00   6.82 172.94) =  99.985%  kept
        T QG1   VAL   43 - HB3   LEU   73   6.74 +/- 1.56   4.809% *  0.2757% (0.28   1.0 10.00   0.02   1.30) =   0.014%
          HG    LEU   31 - HB3   LEU   73   8.04 +/- 0.95   0.390% *  0.0957% (0.97   1.0  1.00   0.02   1.35) =   0.000%
          QG1   VAL   41 - HB3   LEU   73   7.38 +/- 0.70   0.523% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  20.01 +/- 1.94   0.001% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  16.26 +/- 1.11   0.004% *  0.0889% (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 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.9:
    *   T HA    LEU   73 - QD1   LEU   73   3.91 +/- 0.22  99.574% * 98.7705% (1.00 10.00   5.00 172.94) =  99.996%  kept
        T HA    LEU   73 - QD1   LEU   63  10.15 +/- 0.79   0.376% *  0.9877% (1.00 10.00   0.02   0.02) =   0.004%
        T HA    LEU   73 - QD1   LEU  104  14.16 +/- 0.82   0.050% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.91, support = 4.66, residual support = 157.5:
    * O T HB2   LEU   73 - QD1   LEU   73   2.66 +/- 0.34  22.221% * 92.1110% (1.00  10.0 10.00   5.00 172.94) =  90.075%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.24 +/- 0.47  48.302% *  3.7384% (0.05   1.0 10.00   1.49  17.00) =   7.947%  kept
          QD    LYS+  99 - QD1   LEU  104   2.63 +/- 0.57  24.739% *  1.8044% (0.23   1.0  1.00   1.73  17.00) =   1.964%  kept
          QD    LYS+ 106 - QD1   LEU   63   8.63 +/- 1.81   3.200% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.012%
          QG1   ILE   56 - QD1   LEU   63   5.40 +/- 1.33   0.493% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 102 - QD1   LEU  104   6.73 +/- 1.38   0.944% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63  11.13 +/- 0.82   0.005% *  0.9211% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.67 +/- 1.13   0.016% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   8.80 +/- 1.21   0.015% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.77 +/- 1.15   0.008% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   7.97 +/- 0.64   0.029% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  10.67 +/- 1.33   0.006% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  13.16 +/- 1.26   0.002% *  0.0850% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  14.89 +/- 0.91   0.001% *  0.2255% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.51 +/- 1.26   0.002% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  13.14 +/- 1.67   0.002% *  0.0871% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.90 +/- 0.84   0.004% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  11.76 +/- 1.64   0.004% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.71 +/- 1.01   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.01 +/- 1.24   0.001% *  0.0379% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  16.63 +/- 1.31   0.000% *  0.0889% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  13.13 +/- 0.99   0.002% *  0.0205% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  14.36 +/- 0.95   0.001% *  0.0284% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  16.78 +/- 0.89   0.000% *  0.0559% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  19.78 +/- 1.32   0.000% *  0.0596% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.68 +/- 0.95   0.001% *  0.0070% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.01 +/- 1.53   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.50 +/- 0.84   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  22.25 +/- 1.28   0.000% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  16.65 +/- 0.96   0.000% *  0.0137% (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 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 172.9:
    * O T HB3   LEU   73 - QD1   LEU   73   2.23 +/- 0.15  93.371% * 96.9771% (1.00  10.0 10.00   5.29 172.94) =  99.998%  kept
          HB    VAL   42 - QD1   LEU   63   5.33 +/- 1.00   1.092% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD1   LEU  104   6.95 +/- 1.53   1.287% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   4.93 +/- 0.80   1.520% *  0.0089% (0.09   1.0  1.00   0.02   9.31) =   0.000%
          HG3   LYS+  33 - QD1   LEU   73   7.54 +/- 1.17   0.105% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63  11.08 +/- 1.15   0.009% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   5.97 +/- 0.77   0.436% *  0.0170% (0.18   1.0  1.00   0.02  40.10) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.84 +/- 1.44   0.068% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.04 +/- 0.85   0.059% *  0.0961% (0.99   1.0  1.00   0.02   1.53) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.23 +/- 1.24   0.145% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   7.40 +/- 2.23   0.984% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   73   8.83 +/- 0.91   0.035% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.47 +/- 0.93   0.094% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.22 +/- 0.60   0.098% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.06 +/- 1.66   0.141% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.27 +/- 0.91   0.342% *  0.0059% (0.06   1.0  1.00   0.02   9.31) =   0.000%
          QB    LEU   98 - QD1   LEU   73   8.71 +/- 1.08   0.038% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.87 +/- 1.17   0.037% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   9.31 +/- 0.89   0.023% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  11.21 +/- 1.00   0.008% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.60 +/- 0.76   0.017% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.25 +/- 0.98   0.023% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  12.33 +/- 1.31   0.004% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  14.45 +/- 1.15   0.002% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  11.10 +/- 1.22   0.007% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.05 +/- 1.03   0.013% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  13.94 +/- 1.26   0.002% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.53 +/- 1.83   0.003% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.86 +/- 1.08   0.010% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  14.87 +/- 1.84   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.43 +/- 0.92   0.001% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.73 +/- 1.02   0.001% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.77 +/- 1.89   0.014% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.85 +/- 1.31   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  15.07 +/- 0.86   0.001% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.79 +/- 2.16   0.000% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.21 +/- 1.05   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  22.07 +/- 1.20   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  17.31 +/- 2.32   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.17 +/- 1.11   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.62 +/- 1.60   0.001% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.06 +/- 0.80   0.000% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.58 +/- 0.76   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.76 +/- 2.18   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.63 +/- 0.78   0.001% *  0.0042% (0.04   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 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 = 6.16, residual support = 172.9:
    * O T QD2   LEU   73 - QD1   LEU   73   2.04 +/- 0.06  95.483% * 96.6209% (1.00  10.0 10.00   6.16 172.94) =  99.996%  kept
        T QG1   VAL   41 - QD1   LEU   73   5.83 +/- 0.78   0.287% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - QD1   LEU   73   5.00 +/- 0.93   1.044% *  0.0932% (0.97   1.0  1.00   0.02   1.35) =   0.001%
          QG1   VAL   43 - QD1   LEU   73   5.03 +/- 1.20   2.170% *  0.0269% (0.28   1.0  1.00   0.02   1.30) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   5.72 +/- 1.04   0.358% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.36 +/- 1.60   0.367% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   8.71 +/- 0.99   0.020% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.23 +/- 1.15   0.035% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.90 +/- 0.80   0.083% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.25 +/- 0.91   0.014% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   6.75 +/- 0.79   0.095% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104  11.08 +/- 1.12   0.005% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 0.67   0.035% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.74 +/- 1.23   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  17.01 +/- 1.52   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  14.02 +/- 1.08   0.001% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.63 +/- 1.85   0.003% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.16 +/- 0.95   0.001% *  0.0212% (0.22   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 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 172.9:
    *   T HA    LEU   73 - QD2   LEU   73   3.13 +/- 0.35  99.998% * 99.6602% (1.00 10.00   6.16 172.94) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.12 +/- 1.49   0.002% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.16 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 172.9:
    * O T HB2   LEU   73 - QD2   LEU   73   2.62 +/- 0.37  99.029% * 98.3218% (1.00  10.0 10.00   6.16 172.94) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.42 +/- 0.54   0.115% *  0.2169% (0.22   1.0 10.00   0.02   2.19) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   8.86 +/- 1.67   0.433% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  13.31 +/- 1.66   0.012% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.55 +/- 1.49   0.070% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.39 +/- 1.96   0.023% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121   9.55 +/- 1.78   0.234% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.19 +/- 0.97   0.015% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  12.31 +/- 1.29   0.015% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.42 +/- 1.53   0.011% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  12.23 +/- 1.22   0.017% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.91 +/- 1.86   0.003% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  20.35 +/- 1.54   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.86 +/- 1.51   0.003% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.02 +/- 1.46   0.004% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.77 +/- 1.68   0.008% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.33 +/- 1.49   0.001% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  16.03 +/- 1.67   0.003% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  21.17 +/- 1.66   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  18.06 +/- 1.29   0.001% *  0.0324% (0.33   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 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.883, support = 6.72, residual support = 190.6:
    * O T HB3   LEU   73 - QD2   LEU   73   3.03 +/- 0.24  26.792% * 93.5851% (1.00  10.0 10.00   6.82 172.94) =  87.673%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.28  71.587% *  4.9240% (0.05  10.0 10.00   5.98 316.12) =  12.325%  kept
          HB3   LYS+  74 - QD2   LEU   73   5.42 +/- 0.44   0.971% *  0.0164% (0.18   1.0  1.00   0.02  40.10) =   0.001%
          HB    VAL   42 - QD2   LEU   73   7.47 +/- 1.33   0.166% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD2   LEU   73   7.86 +/- 0.87   0.108% *  0.0903% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   73   8.18 +/- 1.16   0.077% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.17 +/- 1.68   0.099% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.19 +/- 1.60   0.060% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73   9.41 +/- 1.20   0.038% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.10 +/- 1.31   0.012% *  0.0928% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  10.33 +/- 1.47   0.023% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  13.60 +/- 1.93   0.009% *  0.0605% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.04 +/- 1.73   0.005% *  0.0864% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.49 +/- 1.72   0.002% *  0.0934% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.96 +/- 2.53   0.001% *  0.1444% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.27 +/- 1.34   0.011% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121  10.02 +/- 0.69   0.020% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  20.01 +/- 1.94   0.000% *  0.3191% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  14.10 +/- 1.56   0.003% *  0.0351% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  15.08 +/- 1.77   0.002% *  0.0318% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.19 +/- 1.53   0.007% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.48 +/- 1.03   0.001% *  0.0313% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.49 +/- 1.40   0.001% *  0.0316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  20.81 +/- 1.41   0.000% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  15.14 +/- 1.41   0.002% *  0.0120% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.45 +/- 1.45   0.001% *  0.0164% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  21.88 +/- 2.05   0.000% *  0.0308% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  18.78 +/- 1.03   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  24.82 +/- 2.54   0.000% *  0.0206% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.71 +/- 1.24   0.000% *  0.0056% (0.06   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 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 172.9:
    * O T QD1   LEU   73 - QD2   LEU   73   2.04 +/- 0.06  98.872% * 97.3141% (1.00  10.0 10.00   6.16 172.94) =  99.998%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   6.36 +/- 1.60   0.401% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - QD2   LEU   73   5.70 +/- 1.16   0.394% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU   73   8.71 +/- 0.99   0.020% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.23 +/- 1.15   0.036% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73  11.08 +/- 1.12   0.005% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.14 +/- 1.27   0.118% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   6.51 +/- 0.79   0.122% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.73 +/- 1.10   0.022% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121  10.06 +/- 0.67   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  17.01 +/- 1.52   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  14.24 +/- 1.60   0.001% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.14 +/- 1.79   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  18.94 +/- 1.71   0.000% *  0.0058% (0.06   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 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.70 +/- 0.16  99.518% * 99.4757% (0.64  10.0 10.00   6.31 187.65) = 100.000%  kept
          HG2   LYS+  65 - HA    LYS+  74   8.28 +/- 1.64   0.213% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  74   8.01 +/- 0.58   0.174% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74   9.88 +/- 1.92   0.071% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  13.35 +/- 0.98   0.008% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  16.73 +/- 1.45   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  16.83 +/- 0.93   0.002% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.39 +/- 1.06   0.008% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  17.48 +/- 1.52   0.002% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  15.52 +/- 1.19   0.003% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.34 +/- 0.35  99.845% * 99.1206% (0.80  10.0 10.00   6.28 187.65) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.30 +/- 0.60   0.115% *  0.0915% (0.74   1.0  1.00   0.02   8.51) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.56 +/- 0.73   0.012% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  11.44 +/- 0.63   0.011% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  13.80 +/- 0.68   0.005% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74  12.11 +/- 1.73   0.009% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  15.19 +/- 0.61   0.002% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  21.69 +/- 1.39   0.000% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.22 +/- 0.90   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.07 +/- 0.84   0.000% *  0.0338% (0.27   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 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.56, residual support = 183.8:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.44 +/- 0.30  73.721% * 92.2586% (0.80  10.0 10.00   5.57 187.65) =  97.547%  kept
          HB    VAL   75 - HA    LYS+  74   4.21 +/- 0.07  23.289% *  7.3328% (0.25   1.0  1.00   5.15  32.58) =   2.449%  kept
          QD1   LEU   67 - HA    LYS+  74   7.04 +/- 1.86   2.439% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.003%
          QD2   LEU   71 - HA    LYS+  74   8.46 +/- 0.68   0.407% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.18 +/- 0.91   0.072% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  14.27 +/- 0.64   0.016% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.23 +/- 0.83   0.026% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  12.76 +/- 1.13   0.031% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.30 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.00 +/- 0.54  99.433% * 99.2156% (0.80 10.00   5.91 187.65) = 100.000%  kept
          QD    LYS+  65 - HA    LYS+  74   8.77 +/- 1.29   0.362% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  74  10.96 +/- 0.74   0.066% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  11.00 +/- 1.06   0.087% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  12.08 +/- 1.31   0.041% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  18.49 +/- 0.86   0.003% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  16.80 +/- 1.04   0.005% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  20.27 +/- 1.62   0.002% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  23.39 +/- 1.43   0.001% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.23 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T QE    LYS+  74 - HA    LYS+  74   3.10 +/- 0.43  98.546% * 99.7560% (0.80 10.00   4.93 187.65) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   6.79 +/- 0.53   1.366% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  13.00 +/- 1.21   0.027% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.44 +/- 0.54   0.051% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  15.09 +/- 0.96   0.011% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.38 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.70 +/- 0.16  99.995% * 99.8966% (0.64  10.0 10.00   6.31 187.65) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  14.98 +/- 0.52   0.004% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  17.41 +/- 1.29   0.002% *  0.0278% (0.18   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 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.96 +/- 0.10  99.662% * 99.1206% (0.80  10.0 10.00   5.85 187.65) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.18 +/- 0.83   0.270% *  0.0915% (0.74   1.0  1.00   0.02   8.51) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  12.44 +/- 1.00   0.021% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.55 +/- 0.91   0.019% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  13.29 +/- 1.67   0.017% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  15.51 +/- 0.79   0.005% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  16.37 +/- 0.70   0.004% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  23.53 +/- 1.39   0.000% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  20.36 +/- 1.00   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  21.59 +/- 0.90   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.76 +/- 0.13  98.671% * 97.9320% (0.80  10.0 10.00   5.27 187.65) =  99.996%  kept
        T QD1   LEU   67 - HB2   LYS+  74   8.23 +/- 2.27   0.365% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL   75 - HB2   LYS+  74   6.29 +/- 0.44   0.842% *  0.0302% (0.25   1.0  1.00   0.02  32.58) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  13.05 +/- 0.87   0.010% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.13 +/- 1.05   0.098% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.14 +/- 1.28   0.007% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  16.32 +/- 0.56   0.002% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  15.17 +/- 0.80   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.43 +/- 0.46  99.686% * 97.4681% (0.80  10.0 10.00   6.31 187.65) =  99.998%  kept
        T QD    LYS+  65 - HB2   LYS+  74   8.64 +/- 1.56   0.270% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.002%
          QB    ALA   57 - HB2   LYS+  74  11.46 +/- 1.04   0.017% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  12.35 +/- 1.45   0.013% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  11.90 +/- 1.19   0.012% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.01 +/- 1.31   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  19.97 +/- 0.93   0.001% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  25.34 +/- 1.39   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.96 +/- 1.89   0.000% *  0.0552% (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 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.77 +/- 0.79  99.683% * 99.7560% (0.80 10.00   4.62 187.65) = 100.000%  kept
          HB2   PHE   72 - HB2   LYS+  74   8.81 +/- 0.54   0.217% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   LYS+  74  12.95 +/- 1.55   0.031% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  10.94 +/- 0.77   0.065% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  16.65 +/- 1.07   0.005% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.34 +/- 0.35  99.931% * 99.7790% (0.80  10.0 10.00   6.28 187.65) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  13.48 +/- 1.03   0.004% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.46 +/- 1.36   0.025% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  10.41 +/- 1.76   0.038% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  15.92 +/- 1.88   0.002% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  21.69 +/- 1.39   0.000% *  0.1066% (0.09   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 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.96 +/- 0.10  97.901% * 99.3145% (0.80  10.0 10.00   5.85 187.65) =  99.999%  kept
          HG2   LYS+  65 - HG2   LYS+  74   7.55 +/- 1.87   1.109% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG2   LYS+  74   8.90 +/- 0.75   0.154% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  10.41 +/- 2.26   0.161% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.94 +/- 1.25   0.195% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.24 +/- 1.18   0.415% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  14.80 +/- 1.39   0.008% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  16.56 +/- 1.71   0.004% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.05 +/- 1.11   0.003% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.58 +/- 1.05   0.021% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  14.89 +/- 1.12   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  15.46 +/- 1.58   0.006% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  18.14 +/- 1.73   0.002% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.41 +/- 2.35   0.011% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  23.53 +/- 1.39   0.000% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.79 +/- 1.87   0.000% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  22.32 +/- 1.52   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.05 +/- 2.34   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  24.82 +/- 1.10   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  22.30 +/- 2.01   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.14 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.746% * 99.3075% (1.00  10.0 10.00   4.54 187.65) = 100.000%  kept
          QD1   LEU   67 - HG2   LYS+  74   7.58 +/- 2.00   0.102% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG2   LYS+  74   5.42 +/- 0.61   0.142% *  0.0307% (0.31   1.0  1.00   0.02  32.58) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74   9.52 +/- 0.89   0.005% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.47 +/- 1.12   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  12.70 +/- 1.22   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.51 +/- 0.82   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.61 +/- 0.94   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.09 +/- 1.61   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.84 +/- 1.03   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  22.88 +/- 1.97   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  15.80 +/- 1.90   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  23.25 +/- 1.34   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  18.13 +/- 2.31   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.83 +/- 1.65   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.91 +/- 1.32   0.000% *  0.0033% (0.03   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 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.948, support = 5.53, residual support = 194.9:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.72 +/- 0.23  59.523% * 89.4618% (1.00  10.0 10.00   5.54 187.65) =  94.330%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.08  40.053% *  7.9861% (0.09  10.0 10.00   5.40 315.01) =   5.666%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.88 +/- 1.60   0.363% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HG2   LYS+  74  13.41 +/- 1.38   0.005% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74  10.04 +/- 1.04   0.028% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.06 +/- 1.17   0.009% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.08 +/- 1.04   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.57 +/- 1.74   0.000% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.94 +/- 1.40   0.011% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  17.47 +/- 1.23   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.11 +/- 1.53   0.000% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.61 +/- 1.88   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.53 +/- 1.72   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.55 +/- 1.64   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.56 +/- 1.49   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.81 +/- 1.27   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.91 +/- 2.00   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.27 +/- 1.82   0.000% *  0.0047% (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 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.70 +/- 0.62  99.658% * 99.6238% (1.00  10.0 10.00   4.54 187.65) = 100.000%  kept
          HB2   PHE   72 - HG2   LYS+  74   8.56 +/- 1.02   0.196% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG2   LYS+  74  11.86 +/- 1.62   0.048% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  10.65 +/- 1.53   0.084% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  15.97 +/- 1.49   0.005% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  19.64 +/- 1.55   0.001% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  15.44 +/- 1.50   0.005% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  21.43 +/- 2.60   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  25.21 +/- 2.73   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  22.58 +/- 1.58   0.001% *  0.0033% (0.03   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 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.44 +/- 0.30  99.969% * 99.8966% (0.80  10.0 10.00   5.57 187.65) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  14.75 +/- 1.26   0.019% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  16.76 +/- 2.14   0.012% *  0.0278% (0.22   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 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.76 +/- 0.13  98.714% * 98.5261% (0.80  10.0 10.00   5.27 187.65) =  99.999%  kept
          HG2   LYS+  65 - HG3   LYS+  74   7.78 +/- 2.13   1.075% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QG2   THR   26 - HG3   LYS+  74   8.73 +/- 0.96   0.143% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  17.62 +/- 2.08   0.002% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  11.32 +/- 2.29   0.054% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.15 +/- 1.06   0.003% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  15.94 +/- 1.38   0.003% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.03 +/- 1.42   0.002% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  16.59 +/- 1.77   0.003% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  19.48 +/- 1.63   0.001% *  0.0462% (0.38   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 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.989% * 99.1206% (1.00  10.0 10.00   4.54 187.65) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.34 +/- 1.36   0.008% *  0.0915% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.50 +/- 1.30   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  13.36 +/- 0.96   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74  12.42 +/- 2.10   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  16.07 +/- 1.30   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.71 +/- 1.35   0.000% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  22.88 +/- 1.97   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.11 +/- 1.11   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  22.77 +/- 1.21   0.000% *  0.0338% (0.34   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 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.92 +/- 0.16  98.760% * 99.2156% (1.00  10.0 10.00   4.97 187.65) =  99.999%  kept
          QD    LYS+  65 - HG3   LYS+  74   7.89 +/- 1.67   1.140% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   57 - HG3   LYS+  74  10.36 +/- 1.34   0.066% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.71 +/- 1.13   0.017% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  13.66 +/- 1.47   0.013% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  20.97 +/- 0.91   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  18.80 +/- 1.22   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.55 +/- 2.10   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  24.77 +/- 1.91   0.000% *  0.0829% (0.84   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 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.96 +/- 0.37  99.717% * 99.7560% (1.00  10.0 10.00   4.00 187.65) = 100.000%  kept
          QB    CYS   50 - HG3   LYS+  74  11.89 +/- 1.91   0.056% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   9.71 +/- 1.00   0.142% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.52 +/- 1.48   0.080% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  16.89 +/- 1.67   0.005% *  0.0762% (0.76   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 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.00 +/- 0.54  99.978% * 99.6012% (0.80 10.00   5.91 187.65) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  14.11 +/- 1.08   0.013% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  18.49 +/- 0.86   0.003% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  16.52 +/- 1.57   0.006% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.40 +/- 0.89   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.34 +/- 1.18   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.6:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.43 +/- 0.46  98.692% * 98.0482% (0.80  10.0 10.00   6.31 187.65) =  99.994%  kept
        T HG2   LYS+  65 - HD2   LYS+  74   7.01 +/- 2.21   1.025% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   26 - HD2   LYS+  74   9.20 +/- 0.90   0.050% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  10.26 +/- 2.80   0.076% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.00 +/- 0.70   0.065% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  18.33 +/- 1.96   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  14.91 +/- 1.66   0.004% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.23 +/- 1.06   0.065% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  16.65 +/- 1.97   0.003% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.05 +/- 1.42   0.002% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.95 +/- 1.98   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  19.97 +/- 0.93   0.001% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  15.14 +/- 1.58   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  15.68 +/- 1.44   0.003% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  20.89 +/- 1.00   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.13 +/- 0.56   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  18.02 +/- 1.36   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.65 +/- 1.73   0.003% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.69 +/- 1.24   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.77 +/- 1.09   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 0.24 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.875, support = 5.53, residual support = 192.3:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.72 +/- 0.23  32.279% * 90.7641% (1.00  10.0 10.00   5.54 187.65) =  86.508%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.15  67.299% *  6.7893% (0.07  10.0 10.00   5.42 221.86) =  13.491%  kept
        T HG3   LYS+  99 - QD    LYS+  38   6.75 +/- 1.29   0.208% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - HD2   LYS+  74   9.22 +/- 1.09   0.028% *  0.0838% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.79 +/- 0.54   0.160% *  0.0121% (0.13   1.0  1.00   0.02  23.16) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.85 +/- 1.34   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 1.04   0.010% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  12.70 +/- 1.30   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.12 +/- 1.59   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74  11.97 +/- 1.56   0.006% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  15.86 +/- 1.17   0.001% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.46 +/- 1.35   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.08 +/- 1.04   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  22.11 +/- 1.53   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.10 +/- 1.29   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.32 +/- 1.20   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.91 +/- 2.00   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.50 +/- 1.69   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.94 +/- 1.56   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  21.59 +/- 1.48   0.000% *  0.0039% (0.04   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 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.92 +/- 0.16  95.954% * 99.2094% (1.00  10.0 10.00   4.97 187.65) =  99.998%  kept
          QD1   LEU   67 - HD2   LYS+  74   7.52 +/- 2.53   1.294% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HD2   LYS+  74   6.12 +/- 1.07   2.130% *  0.0306% (0.31   1.0  1.00   0.02  32.58) =   0.001%
          QD2   LEU   71 - HD2   LYS+  74   9.52 +/- 1.34   0.119% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   7.86 +/- 0.67   0.310% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.69 +/- 1.29   0.019% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.08 +/- 0.76   0.062% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  12.62 +/- 1.51   0.020% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  11.92 +/- 0.91   0.025% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  11.40 +/- 1.13   0.036% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.98 +/- 1.05   0.004% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  15.14 +/- 1.24   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.93 +/- 1.27   0.016% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  20.97 +/- 0.91   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.89 +/- 1.32   0.002% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  18.47 +/- 1.20   0.002% *  0.0067% (0.07   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 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.25 +/- 0.07  99.943% * 99.4851% (1.00  10.0 10.00   4.97 187.65) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   8.95 +/- 0.79   0.030% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74  12.01 +/- 1.74   0.007% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.14 +/- 1.20   0.009% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.12 +/- 1.34   0.006% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.19 +/- 1.21   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  15.93 +/- 1.60   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  12.75 +/- 1.47   0.004% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  26.93 +/- 1.00   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  27.24 +/- 1.04   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.6:
    *   T HA    LYS+  74 - QE    LYS+  74   3.10 +/- 0.43  99.963% * 99.8966% (0.80 10.00   4.93 187.65) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74  12.67 +/- 1.05   0.025% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  14.77 +/- 1.58   0.012% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.77 +/- 0.79  91.713% * 99.4757% (0.80 10.00   4.62 187.65) =  99.995%  kept
          HG2   LYS+  65 - QE    LYS+  74   5.78 +/- 1.81   7.311% *  0.0557% (0.45  1.00   0.02   0.02) =   0.004%
          HG    LEU   67 - QE    LYS+  74   8.90 +/- 2.61   0.660% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  74   8.54 +/- 0.74   0.212% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.20 +/- 1.55   0.025% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  14.56 +/- 1.72   0.018% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.93 +/- 1.44   0.011% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  13.76 +/- 1.47   0.022% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.44 +/- 1.32   0.020% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.16 +/- 1.85   0.007% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.18 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.70 +/- 0.62  99.334% * 99.1206% (1.00  10.0 10.00   4.54 187.65) =  99.999%  kept
          HG13  ILE   19 - QE    LYS+  74   8.27 +/- 1.29   0.514% *  0.0915% (0.92   1.0  1.00   0.02   8.51) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.41 +/- 1.33   0.043% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  11.26 +/- 1.18   0.041% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  74  10.50 +/- 1.71   0.045% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  14.25 +/- 1.17   0.009% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  14.06 +/- 1.18   0.010% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  19.64 +/- 1.55   0.001% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.90 +/- 1.20   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.82 +/- 1.12   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.96 +/- 0.37  90.374% * 99.5285% (1.00  10.0 10.00   4.00 187.65) =  99.995%  kept
          QD1   LEU   67 - QE    LYS+  74   6.53 +/- 2.31   2.900% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - QE    LYS+  74   5.76 +/- 1.12   6.305% *  0.0307% (0.31   1.0  1.00   0.02  32.58) =   0.002%
          QD2   LEU   71 - QE    LYS+  74   8.45 +/- 1.20   0.295% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.28 +/- 1.15   0.046% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  10.92 +/- 1.50   0.059% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  14.32 +/- 0.80   0.009% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  13.65 +/- 0.84   0.012% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.25 +/- 0.07  99.354% * 99.2156% (1.00  10.0 10.00   4.97 187.65) = 100.000%  kept
          QD    LYS+  65 - QE    LYS+  74   6.11 +/- 1.20   0.595% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  74   8.83 +/- 0.94   0.036% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  11.86 +/- 1.41   0.007% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  12.18 +/- 1.45   0.006% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.19 +/- 1.21   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.50 +/- 1.88   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  17.76 +/- 1.91   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  21.27 +/- 1.66   0.000% *  0.0829% (0.84   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 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   2.92 +/- 0.13  98.461% * 99.3939% (1.00  10.0 10.00   3.44  84.41) =  99.999%  kept
          HG3   LYS+  74 - HA    VAL   75   6.19 +/- 0.61   1.413% *  0.0307% (0.31   1.0  1.00   0.02  32.58) =   0.000%
          QD1   LEU   67 - HA    VAL   75   9.88 +/- 1.75   0.084% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  13.74 +/- 1.05   0.011% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  12.44 +/- 0.71   0.018% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  13.63 +/- 0.69   0.010% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.14 +/- 0.64   0.003% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.18  99.994% * 99.9055% (1.00  10.0 10.00   4.00  84.41) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.22 +/- 1.29   0.006% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.19 +/- 0.34  99.980% * 99.9036% (1.00  10.0 10.00   4.00  84.41) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75   9.95 +/- 0.63   0.020% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 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   2.92 +/- 0.13  99.574% * 99.7003% (1.00  10.0 10.00   3.44  84.41) = 100.000%  kept
          HA    ALA   61 - HB    VAL   75   7.70 +/- 1.02   0.401% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  13.81 +/- 0.71   0.010% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HB    VAL   75  13.31 +/- 0.89   0.012% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.71 +/- 0.52   0.003% *  0.0135% (0.14   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 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   2.11 +/- 0.02  99.997% * 99.9055% (1.00  10.0 10.00   3.44  84.41) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  12.28 +/- 1.26   0.003% *  0.0945% (0.95   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 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  99.956% * 99.0442% (1.00  10.0 10.00   3.31  84.41) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   7.93 +/- 0.65   0.044% *  0.9558% (0.97   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 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 +/- 0.18  99.736% * 99.6578% (1.00  10.0 10.00   4.00  84.41) =  99.999%  kept
        T HA    ALA   61 - QG1   VAL   75   7.66 +/- 0.92   0.224% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  11.20 +/- 0.91   0.020% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  12.44 +/- 0.49   0.011% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.53 +/- 0.54   0.010% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.11 +/- 0.02  99.828% * 99.7607% (1.00  10.0 10.00   3.44  84.41) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.80 +/- 0.67   0.110% *  0.0308% (0.31   1.0  1.00   0.02  32.58) =   0.000%
          QD1   LEU   67 - QG1   VAL   75   8.45 +/- 1.47   0.030% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QG1   VAL   75   9.97 +/- 0.66   0.010% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75   9.89 +/- 1.01   0.011% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  10.25 +/- 0.77   0.009% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  12.96 +/- 0.94   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.02 +/- 0.07  99.964% * 99.9036% (1.00  10.0 10.00   4.00  84.41) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   7.71 +/- 0.49   0.036% *  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   2.19 +/- 0.34  98.605% * 99.8572% (1.00  10.0 10.00   4.00  84.41) = 100.000%  kept
          HA    ALA   61 - QG2   VAL   75   8.04 +/- 1.32   1.373% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG2   VAL   75  12.88 +/- 1.28   0.015% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  12.95 +/- 0.68   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.79 +/- 0.80   0.003% *  0.0135% (0.14   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 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  99.740% * 99.7607% (1.00  10.0 10.00   3.31  84.41) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.45 +/- 0.54   0.152% *  0.0308% (0.31   1.0  1.00   0.02  32.58) =   0.000%
          QD1   LEU   67 - QG2   VAL   75   7.58 +/- 1.56   0.068% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.00 +/- 0.84   0.020% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75   9.86 +/- 1.39   0.012% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  11.09 +/- 1.00   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.54 +/- 1.26   0.003% *  0.0175% (0.18   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 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   2.02 +/- 0.07  99.996% * 99.9055% (1.00  10.0 10.00   4.00  84.41) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.61 +/- 1.11   0.004% *  0.0945% (0.95   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 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 = 2.92, residual support = 36.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.92 +/- 0.14  95.602% * 99.1090% (1.00  10.0 10.00   2.92  36.30) =  99.998%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.58 +/- 0.59   2.441% *  0.0720% (0.73   1.0  1.00   0.02   3.19) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.96 +/- 0.59   0.605% *  0.0362% (0.04   1.0 10.00   0.02  10.78) =   0.000%
          HB2   ASN   69 - HA    LEU   67   6.59 +/- 0.92   1.330% *  0.0159% (0.16   1.0  1.00   0.02   2.94) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.20 +/- 1.44   0.003% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  17.30 +/- 0.79   0.002% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  17.78 +/- 1.54   0.002% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.57 +/- 2.01   0.009% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  21.12 +/- 0.64   0.001% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.04 +/- 0.74   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  21.54 +/- 1.51   0.001% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  21.84 +/- 1.29   0.001% *  0.0025% (0.03   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 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.3:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.66 +/- 0.25  99.793% * 99.2676% (0.87  10.0 10.00   2.99  36.30) = 100.000%  kept
          QG    GLN   90 - HA    ASP-  76  10.02 +/- 2.69   0.107% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  76  13.71 +/- 2.20   0.010% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  11.92 +/- 1.13   0.014% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  10.28 +/- 1.39   0.042% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  17.60 +/- 1.68   0.002% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.00 +/- 2.13   0.012% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.65 +/- 0.80   0.002% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  18.63 +/- 1.19   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  16.01 +/- 1.29   0.002% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.84 +/- 1.39   0.004% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  13.07 +/- 1.23   0.009% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  23.64 +/- 1.02   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.92 +/- 1.57   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  22.54 +/- 1.16   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  20.80 +/- 1.20   0.001% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.3:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.92 +/- 0.14  99.352% * 99.3094% (1.00  10.0 10.00   2.92  36.30) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   6.96 +/- 0.59   0.632% *  0.0515% (0.05   1.0 10.00   0.02  10.78) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  17.78 +/- 1.54   0.002% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  17.30 +/- 0.79   0.002% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  17.20 +/- 1.44   0.003% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  14.57 +/- 2.01   0.009% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 2.91, residual support = 36.3:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.922% * 98.9845% (0.87  10.0 10.00   2.91  36.30) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   7.52 +/- 1.99   0.049% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.55 +/- 2.05   0.021% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  11.05 +/- 2.78   0.004% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.88 +/- 2.46   0.000% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  11.72 +/- 2.09   0.002% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  15.10 +/- 0.90   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  16.97 +/- 1.53   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.43 +/- 0.68   0.001% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  18.48 +/- 1.16   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  14.63 +/- 2.26   0.000% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  20.85 +/- 0.78   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  18.48 +/- 1.08   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.46 +/- 1.05   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  24.34 +/- 1.06   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.30 +/- 1.61   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.77 +/- 1.19   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.01 +/- 1.66   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.34 +/- 1.38   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.33 +/- 1.02   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  21.53 +/- 1.64   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.74 +/- 1.23   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  20.99 +/- 1.13   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  20.65 +/- 1.79   0.000% *  0.0023% (0.02   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 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.3:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.66 +/- 0.25  99.998% * 99.7513% (0.87  10.0 10.00   2.99  36.30) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  17.60 +/- 1.68   0.002% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.91, residual support = 36.3:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.933% * 99.3726% (0.87  10.0 10.00   2.91  36.30) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.62 +/- 1.24   1.066% *  0.0722% (0.63   1.0  1.00   0.02   3.19) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  16.97 +/- 1.53   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  18.48 +/- 1.16   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.45 +/- 0.70   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  22.24 +/- 1.16   0.000% *  0.0974% (0.85   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 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   2.59 +/- 0.13  99.336% * 99.3000% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.36 +/- 0.29   0.507% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.93 +/- 1.16   0.073% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77   9.28 +/- 0.38   0.049% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.21 +/- 1.25   0.018% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  12.09 +/- 1.31   0.011% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.91 +/- 0.93   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  17.80 +/- 1.28   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.06 +/- 0.44   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.47 +/- 1.19   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.39 +/- 2.19   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  29.48 +/- 1.87   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.44 +/- 0.30  99.945% * 99.7982% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.88 +/- 1.05   0.035% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77  10.69 +/- 0.89   0.018% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  19.42 +/- 2.15   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  22.89 +/- 1.00   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.34 +/- 1.14   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.04 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   2.59 +/- 0.13  99.959% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.60 +/- 1.87   0.034% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  12.98 +/- 1.04   0.007% *  0.0448% (0.45   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 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 = 2.85, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.02  99.979% * 99.5496% (1.00  10.0 10.00   2.85  37.75) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   9.63 +/- 1.56   0.018% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  12.51 +/- 0.86   0.003% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  18.11 +/- 2.39   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  24.14 +/- 1.41   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  27.14 +/- 1.45   0.000% *  0.0446% (0.45   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 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   2.44 +/- 0.30  99.633% * 99.9104% (1.00  10.0 10.00   3.00  37.75) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.92 +/- 1.26   0.346% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77  10.41 +/- 0.99   0.021% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.85, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.02  99.651% * 99.3000% (1.00  10.0 10.00   2.85  37.75) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   6.57 +/- 0.54   0.142% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.03 +/- 1.38   0.059% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.32 +/- 0.33   0.069% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77   8.14 +/- 1.27   0.051% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.89 +/- 0.99   0.013% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.23 +/- 1.48   0.013% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.28 +/- 1.37   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.19 +/- 0.66   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.78 +/- 1.06   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.67 +/- 1.91   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.16 +/- 1.72   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 38.4:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.89 +/- 0.25  98.535% * 99.6931% (1.00  10.0 10.00   3.17  38.35) =  99.999%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.08 +/- 0.64   1.443% *  0.0724% (0.73   1.0  1.00   0.02   3.19) =   0.001%
          HB2   ASP-  86 - HA    ASP-  78  12.92 +/- 1.00   0.014% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  16.41 +/- 2.74   0.006% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.16 +/- 0.79   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.41 +/- 1.48   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  27.29 +/- 0.68   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.4:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.72 +/- 0.16  99.902% * 99.8720% (1.00  10.0 10.00   2.31  38.35) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.57 +/- 0.83   0.062% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.58 +/- 1.71   0.036% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  24.21 +/- 1.25   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  23.02 +/- 1.62   0.000% *  0.0154% (0.15   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 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.17, residual support = 38.4:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.89 +/- 0.25  99.603% * 99.8154% (1.00  10.0 10.00   3.17  38.35) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   7.85 +/- 0.49   0.303% *  0.0486% (0.49   1.0  1.00   0.02   3.43) =   0.000%
          HA    THR   23 - HB2   ASP-  78  10.42 +/- 1.27   0.076% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.93 +/- 1.27   0.018% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  23.96 +/- 1.02   0.000% *  0.0154% (0.15   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 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 = 2.61, residual support = 38.4:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.985% * 99.8720% (1.00  10.0 10.00   2.61  38.35) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.95 +/- 1.37   0.008% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.18 +/- 1.93   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  23.64 +/- 1.38   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  23.10 +/- 1.57   0.000% *  0.0154% (0.15   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 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.4:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.72 +/- 0.16  99.819% * 99.8154% (1.00  10.0 10.00   2.31  38.35) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.41 +/- 0.62   0.150% *  0.0486% (0.49   1.0  1.00   0.02   3.43) =   0.000%
          HA    THR   23 - HB3   ASP-  78  11.25 +/- 0.90   0.024% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  13.78 +/- 0.92   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  23.35 +/- 1.63   0.000% *  0.0154% (0.15   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 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.61, residual support = 38.4:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.726% * 99.6931% (1.00  10.0 10.00   2.61  38.35) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.12 +/- 0.80   0.273% *  0.0724% (0.73   1.0  1.00   0.02   3.19) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  14.61 +/- 2.69   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  14.49 +/- 0.90   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.82 +/- 0.79   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  20.98 +/- 1.50   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  26.21 +/- 0.73   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 = 4.23, residual support = 54.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.92 +/- 0.18  99.973% * 98.4729% (1.00  10.0 10.00   4.23  54.70) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  16.73 +/- 2.93   0.009% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  13.94 +/- 0.90   0.010% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  15.59 +/- 2.38   0.007% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  25.91 +/- 1.11   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.77 +/- 1.42   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  27.56 +/- 2.83   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 54.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.49 +/- 0.24  99.999% * 99.7507% (1.00  10.0 10.00   3.47  54.70) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  20.09 +/- 0.95   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.03 +/- 1.31   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  21.93 +/- 0.90   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  27.75 +/- 0.89   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  26.83 +/- 1.21   0.000% *  0.0447% (0.45   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 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 54.7:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.92 +/- 0.18  99.612% * 99.4064% (1.00  10.0 10.00   4.23  54.70) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.70 +/- 0.33   0.334% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  11.80 +/- 0.49   0.025% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  13.05 +/- 0.81   0.015% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  14.38 +/- 1.57   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  16.76 +/- 2.00   0.004% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  20.48 +/- 1.05   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  22.99 +/- 0.93   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  28.80 +/- 2.70   0.000% *  0.0563% (0.57   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 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 = 3.41, residual support = 54.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.29 +/- 0.12  99.999% * 99.7507% (1.00  10.0 10.00   3.41  54.70) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.55 +/- 1.23   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.32 +/- 1.23   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  19.76 +/- 0.97   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  25.54 +/- 1.16   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  25.18 +/- 1.32   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 54.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.49 +/- 0.24  99.864% * 99.4064% (1.00  10.0 10.00   3.47  54.70) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.26 +/- 0.62   0.107% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  11.99 +/- 0.79   0.011% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.52 +/- 0.65   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  14.20 +/- 1.97   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.04 +/- 2.15   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  19.43 +/- 0.97   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  21.18 +/- 1.04   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  25.39 +/- 2.69   0.000% *  0.0563% (0.57   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 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 54.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.29 +/- 0.12  99.984% * 99.5443% (1.00  10.0 10.00   3.41  54.70) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  11.32 +/- 1.54   0.009% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  16.07 +/- 2.51   0.003% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  14.99 +/- 2.53   0.003% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.64 +/- 1.42   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.33 +/- 1.69   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  22.63 +/- 2.62   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 0.02 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 = 5.63, residual support = 84.8:
    *   T QD1   LEU   80 - HA    LEU   80   2.75 +/- 0.65  99.503% * 98.6414% (0.65 10.00   5.63  84.77) = 100.000%  kept
          QD1   LEU   73 - HA    LEU   80   8.50 +/- 1.25   0.439% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HA    LEU   80  12.99 +/- 1.23   0.022% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.74 +/- 1.07   0.020% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  16.30 +/- 1.34   0.005% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  15.04 +/- 1.38   0.010% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 84.8:
    * O   HA    LEU   80 - HB2   LEU   80   2.80 +/- 0.30  95.978% * 99.6992% (1.00  10.0   5.15  84.77) =  99.997%  kept
          HA    THR   23 - HB2   LEU   80   6.19 +/- 1.42   3.392% *  0.0798% (0.80   1.0   0.02   5.60) =   0.003%
          HB    THR   23 - HB2   LEU   80   8.24 +/- 1.46   0.271% *  0.0962% (0.97   1.0   0.02   5.60) =   0.000%
          HA    ASP-  78 - HB2   LEU   80   7.76 +/- 0.82   0.358% *  0.0485% (0.49   1.0   0.02   3.43) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.26 +/- 1.41   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.23, residual support = 84.8:
    * O T QD1   LEU   80 - HB2   LEU   80   2.60 +/- 0.41  99.471% * 97.5236% (0.65  10.0 10.00   5.23  84.77) =  99.999%  kept
        T QG2   VAL   41 - HB2   LEU   80  10.90 +/- 1.02   0.031% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.16 +/- 1.15   0.030% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   7.04 +/- 0.83   0.452% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  14.33 +/- 1.65   0.006% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  13.14 +/- 1.72   0.011% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.05 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 5.44, residual support = 80.8:
    *   T HA    LEU   80 - QD1   LEU   80   2.75 +/- 0.65  57.026% * 92.4115% (0.65 10.00   5.63  84.77) =  95.045%  kept
          HA    THR   23 - QD1   LEU   80   3.10 +/- 1.16  41.021% *  6.6942% (0.52  1.00   1.81   5.60) =   4.953%  kept
          HB    THR   23 - QD1   LEU   80   5.04 +/- 1.00   1.403% *  0.0892% (0.62  1.00   0.02   5.60) =   0.002%
          HA    ASP-  78 - QD1   LEU   80   6.97 +/- 0.71   0.421% *  0.0450% (0.31  1.00   0.02   3.43) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  12.99 +/- 1.23   0.014% *  0.5297% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   9.14 +/- 0.55   0.096% *  0.0405% (0.28  1.00   0.02   5.47) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.29 +/- 0.99   0.006% *  0.0511% (0.36  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.78 +/- 0.92   0.007% *  0.0424% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  18.29 +/- 1.44   0.002% *  0.0706% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  15.99 +/- 0.89   0.003% *  0.0258% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.3:
    * O T QB    LYS+  81 - HA    LYS+  81   2.33 +/- 0.07  99.743% * 97.5498% (1.00  10.0 10.00   4.97 101.34) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   8.30 +/- 2.47   0.247% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  18.73 +/- 1.71   0.000% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  15.94 +/- 2.00   0.002% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  14.84 +/- 1.02   0.002% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.20 +/- 1.33   0.004% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.72 +/- 0.63   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  26.24 +/- 0.94   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  18.12 +/- 1.53   0.001% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  18.92 +/- 0.60   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.34 +/- 1.35   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  21.12 +/- 0.98   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  20.44 +/- 1.69   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.25 +/- 1.01   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  28.22 +/- 1.01   0.000% *  0.0151% (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 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 101.3:
    * O T QG    LYS+  81 - HA    LYS+  81   2.49 +/- 0.20  99.995% * 98.1658% (1.00  10.0 10.00   4.16 101.34) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  17.49 +/- 1.60   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  20.80 +/- 0.72   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.43 +/- 1.24   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  20.96 +/- 1.77   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.3:
    *   T QD    LYS+  81 - HA    LYS+  81   3.96 +/- 0.44  99.768% * 99.7569% (1.00 10.00   3.44 101.34) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  11.33 +/- 0.80   0.227% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  23.98 +/- 1.25   0.002% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.30 +/- 1.08   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.3:
    *   T QE    LYS+  81 - HA    LYS+  81   3.34 +/- 0.72  99.952% * 99.9825% (1.00 10.00   3.44 101.34) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  13.89 +/- 1.25   0.048% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.3:
    * O T HA    LYS+  81 - QB    LYS+  81   2.33 +/- 0.07  99.916% * 98.7606% (1.00  10.0 10.00   4.97 101.34) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.81 +/- 0.28   0.074% *  0.0733% (0.07   1.0 10.00   0.02   1.75) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  17.42 +/- 1.48   0.001% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  15.94 +/- 2.00   0.002% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.71 +/- 1.14   0.005% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  19.75 +/- 0.89   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.90 +/- 0.80   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.42 +/- 0.83   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.62 +/- 1.09   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  30.26 +/- 0.95   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  23.54 +/- 0.60   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.96 +/- 1.18   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.25 +/- 1.55   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  35.82 +/- 1.53   0.000% *  0.0111% (0.11   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 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 101.3:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  99.983% * 97.8497% (1.00  10.0 10.00   4.47 101.34) = 100.000%  kept
        T HG2   LYS+ 106 - QB    LYS+  81  17.60 +/- 1.44   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  14.62 +/- 2.21   0.002% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.13 +/- 0.71   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.78 +/- 1.65   0.000% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  11.13 +/- 1.89   0.012% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  14.51 +/- 1.10   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  20.39 +/- 1.62   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.95 +/- 1.87   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  18.17 +/- 2.14   0.000% *  0.0025% (0.03   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 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.3:
    * O T QD    LYS+  81 - QB    LYS+  81   2.35 +/- 0.06  99.991% * 99.6151% (1.00  10.0 10.00   3.74 101.34) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  12.31 +/- 0.77   0.005% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  14.58 +/- 1.90   0.003% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.49 +/- 1.20   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.62 +/- 1.35   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.53 +/- 0.92   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.90 +/- 1.30   0.000% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  27.34 +/- 2.08   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.3:
    *     QE    LYS+  81 - QB    LYS+  81   2.10 +/- 0.21  99.961% * 99.8347% (1.00   3.74 101.34) = 100.000%  kept
          HB3   TRP   49 - HB3   PRO   52   8.37 +/- 0.44   0.033% *  0.0107% (0.02   0.02   3.49) =   0.000%
          HB3   TRP   49 - QB    LYS+  81  12.54 +/- 1.49   0.003% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  14.04 +/- 2.19   0.003% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.16, residual support = 101.3:
    * O T HA    LYS+  81 - QG    LYS+  81   2.49 +/- 0.20  99.813% * 98.8267% (1.00  10.0 10.00   4.16 101.34) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.02 +/- 0.42   0.097% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.00 +/- 0.44   0.058% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  17.49 +/- 1.60   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  20.80 +/- 0.72   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  16.12 +/- 1.55   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  13.86 +/- 0.76   0.004% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.73 +/- 1.09   0.021% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  25.13 +/- 0.67   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.06 +/- 1.95   0.001% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  19.06 +/- 0.92   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.65 +/- 2.29   0.000% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  20.58 +/- 1.87   0.000% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.53 +/- 1.88   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.48 +/- 1.46   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.00 +/- 0.95   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  22.12 +/- 0.79   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  29.29 +/- 0.88   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.50 +/- 2.31   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  28.83 +/- 1.38   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.18 +/- 1.57   0.000% *  0.0073% (0.07   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 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.811, support = 4.81, residual support = 115.4:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  43.405% * 57.8388% (1.00  10.0 10.00   4.47 101.34) =  69.287%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.06  28.523% * 26.7248% (0.46  10.0 10.00   5.70 152.35) =  21.038%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.27 +/- 0.11  27.607% * 12.6979% (0.22  10.0 10.00   5.32 136.21) =   9.675%  kept
          HB3   GLN   30 - HG2   LYS+  33   5.45 +/- 0.92   0.258% *  0.0104% (0.18   1.0  1.00   0.02   0.29) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.86 +/- 2.51   0.030% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.24 +/- 1.05   0.096% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.45 +/- 0.62   0.072% *  0.0114% (0.20   1.0  1.00   0.02  21.49) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.07 +/- 0.90   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.67 +/- 0.63   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  14.62 +/- 2.21   0.001% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.94 +/- 1.00   0.002% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.14 +/- 1.45   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.60 +/- 1.44   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.13 +/- 0.71   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.88 +/- 1.45   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.53 +/- 1.83   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.00 +/- 1.20   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.88 +/- 1.58   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.91 +/- 0.65   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.11 +/- 1.86   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.02 +/- 1.93   0.000% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.31 +/- 1.78   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.48 +/- 1.14   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  17.76 +/- 1.46   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.78 +/- 1.65   0.000% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.68 +/- 0.84   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.55 +/- 1.59   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.30 +/- 2.77   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.74 +/- 1.58   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  18.35 +/- 1.72   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.38 +/- 0.62   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.02 +/- 1.78   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.12 +/- 0.80   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.54 +/- 1.84   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.86 +/- 0.74   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.97 +/- 1.93   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.98 +/- 1.57   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.08 +/- 1.63   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.95 +/- 1.87   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.65 +/- 1.80   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  30.44 +/- 1.55   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  26.23 +/- 0.94   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  24.81 +/- 2.48   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  27.14 +/- 1.03   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.01 +/- 1.92   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.69, residual support = 101.3:
    * O T QD    LYS+  81 - QG    LYS+  81   2.04 +/- 0.01  99.971% * 98.8994% (1.00  10.0 10.00   3.69 101.34) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.97 +/- 1.82   0.017% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  11.74 +/- 0.68   0.003% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  11.84 +/- 1.44   0.004% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.48 +/- 0.68   0.003% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.14 +/- 1.02   0.002% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  18.98 +/- 1.64   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  21.18 +/- 0.96   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  15.03 +/- 1.57   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.27 +/- 0.89   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.08 +/- 0.88   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  22.58 +/- 2.04   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 = 3.69, residual support = 101.3:
    * O   QE    LYS+  81 - QG    LYS+  81   2.33 +/- 0.06  99.987% * 99.9005% (1.00  10.0   3.69 101.34) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  11.61 +/- 1.64   0.012% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.08 +/- 1.82   0.001% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.07 +/- 0.92   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.00 +/- 1.50   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  30.51 +/- 1.15   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.3:
    *   T HA    LYS+  81 - QD    LYS+  81   3.96 +/- 0.44  99.928% * 99.7133% (1.00 10.00   3.44 101.34) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  16.18 +/- 1.50   0.028% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.59 +/- 0.84   0.033% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  26.89 +/- 0.79   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  19.95 +/- 1.17   0.007% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  23.32 +/- 0.95   0.003% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  30.60 +/- 1.10   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.3:
    * O T QB    LYS+  81 - QD    LYS+  81   2.35 +/- 0.06  99.919% * 98.9997% (1.00  10.0 10.00   3.74 101.34) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81   9.02 +/- 2.10   0.068% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  14.58 +/- 1.90   0.003% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  13.15 +/- 1.40   0.005% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  16.42 +/- 1.67   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.16 +/- 1.06   0.001% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  17.42 +/- 1.29   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.23 +/- 0.74   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  16.68 +/- 0.76   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.94 +/- 1.39   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.00 +/- 0.85   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  18.94 +/- 2.04   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  25.77 +/- 0.90   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.61 +/- 0.82   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  27.32 +/- 1.07   0.000% *  0.0153% (0.15   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 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.69, residual support = 101.3:
    * O T QG    LYS+  81 - QD    LYS+  81   2.04 +/- 0.01  99.999% * 98.1658% (1.00  10.0 10.00   3.69 101.34) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  18.98 +/- 1.64   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  21.18 +/- 0.96   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  13.97 +/- 1.00   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  20.65 +/- 1.62   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 101.3:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.990% * 99.9825% (1.00  10.0   3.00 101.34) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  10.86 +/- 1.55   0.010% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.3:
    *   T HA    LYS+  81 - QE    LYS+  81   3.34 +/- 0.72  99.963% * 99.7133% (1.00 10.00   3.44 101.34) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  16.08 +/- 1.01   0.013% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.32 +/- 0.88   0.019% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  26.66 +/- 0.89   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  19.31 +/- 1.57   0.004% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  30.16 +/- 1.42   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  23.23 +/- 1.36   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 33.4:
    * O T HB2   SER   82 - HA    SER   82   2.78 +/- 0.07  99.093% * 97.1708% (0.95  10.0 10.00   2.96  33.37) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25   9.73 +/- 1.26   0.084% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.57 +/- 0.31   0.612% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   8.16 +/- 0.26   0.162% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  14.18 +/- 1.46   0.008% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.53 +/- 0.50   0.021% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.31 +/- 1.33   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.29 +/- 0.51   0.009% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.13 +/- 1.09   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  24.01 +/- 1.18   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.08 +/- 0.60   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  17.93 +/- 1.52   0.002% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  16.25 +/- 0.42   0.003% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  20.00 +/- 1.38   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  20.67 +/- 1.17   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.70 +/- 1.11   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.63 +/- 0.99   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  27.41 +/- 1.22   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.46 +/- 1.44   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  30.44 +/- 1.16   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HB3   SER   82 - HA    SER   82   2.92 +/- 0.12  99.678% * 98.8194% (1.00  10.0 10.00   2.00  33.37) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   9.21 +/- 1.21   0.160% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   82  10.51 +/- 0.23   0.048% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.30 +/- 0.31   0.100% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  18.70 +/- 1.23   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  18.61 +/- 1.90   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.33 +/- 0.90   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.43 +/- 0.48   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.27 +/- 0.65   0.002% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.74 +/- 0.97   0.002% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.63 +/- 1.45   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  21.26 +/- 1.61   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  24.41 +/- 1.11   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.15 +/- 1.00   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  23.54 +/- 0.80   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.71 +/- 1.35   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.65 +/- 1.68   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.49 +/- 0.91   0.000% *  0.0099% (0.10   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 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.4:
    * O T HA    SER   82 - HB2   SER   82   2.78 +/- 0.07  99.799% * 97.8439% (0.95  10.0 10.00   2.96  33.37) =  99.999%  kept
        T HA    GLU-  25 - HB2   SER   82   9.73 +/- 1.26   0.085% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    SER   48  14.18 +/- 1.46   0.008% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   9.65 +/- 0.57   0.065% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.22 +/- 0.70   0.025% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.31 +/- 1.33   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.08 +/- 0.60   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  12.90 +/- 0.59   0.011% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  24.01 +/- 1.18   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  18.81 +/- 1.20   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  16.77 +/- 1.28   0.002% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  18.88 +/- 1.58   0.001% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  20.38 +/- 1.18   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  24.34 +/- 1.04   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.31 +/- 0.92   0.001% *  0.0059% (0.06   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 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 33.4:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.845% * 96.7159% (0.95  10.0 10.00   2.34  33.37) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   5.72 +/- 0.72   0.115% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.70 +/- 0.82   0.008% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.83 +/- 0.55   0.007% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.38 +/- 0.53   0.022% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  15.35 +/- 1.25   0.000% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  14.44 +/- 1.31   0.000% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.50 +/- 0.29   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  19.86 +/- 1.94   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  13.10 +/- 2.23   0.001% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  12.53 +/- 0.77   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.67 +/- 1.27   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  22.62 +/- 1.75   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  14.52 +/- 1.14   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.47 +/- 1.11   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  23.67 +/- 1.78   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  19.37 +/- 1.15   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  23.96 +/- 1.24   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  19.31 +/- 0.92   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.83 +/- 0.98   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.74 +/- 1.26   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  27.09 +/- 1.56   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  24.38 +/- 1.08   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.56 +/- 1.26   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  27.25 +/- 2.21   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.16 +/- 0.81   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.74 +/- 0.88   0.000% *  0.0066% (0.07   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 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.4:
    * O T HA    SER   82 - HB3   SER   82   2.92 +/- 0.12  99.836% * 99.1601% (1.00  10.0 10.00   2.00  33.37) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.21 +/- 1.21   0.161% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HA    CYS   53 - HB3   SER   82  20.63 +/- 1.15   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  18.68 +/- 1.24   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  24.30 +/- 1.14   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.34, residual support = 33.4:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.996% * 97.6038% (0.95  10.0 10.00   2.34  33.37) = 100.000%  kept
        T HA    SER   48 - HB3   SER   82  15.35 +/- 1.25   0.000% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82   9.98 +/- 0.22   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.46 +/- 1.31   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  19.56 +/- 1.51   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  22.62 +/- 1.75   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.57 +/- 1.70   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  19.18 +/- 1.53   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.16 +/- 1.35   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  27.83 +/- 1.65   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 = 87.0:
    * O T HB    VAL   83 - HA    VAL   83   2.91 +/- 0.14  99.979% * 96.5761% (0.90  10.0 10.00   3.97  87.04) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.51 +/- 1.40   0.006% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  16.84 +/- 1.40   0.003% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  20.34 +/- 1.42   0.001% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  20.83 +/- 2.12   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  16.41 +/- 1.74   0.004% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  16.92 +/- 0.87   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.14 +/- 1.19   0.002% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.03 +/- 1.39   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.43 +/- 1.62   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.50 +/- 1.55   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  29.27 +/- 1.67   0.000% *  0.0213% (0.20   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 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 87.0:
    * O T QG1   VAL   83 - HA    VAL   83   2.23 +/- 0.26  99.136% * 99.5865% (0.87  10.0 10.00   4.23  87.04) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.53 +/- 0.86   0.725% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   7.48 +/- 0.57   0.103% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.12 +/- 0.89   0.032% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  14.78 +/- 1.55   0.002% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.04 +/- 1.71   0.001% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.48 +/- 1.65   0.000% *  0.0877% (0.76   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 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 87.0:
    * O T QG2   VAL   83 - HA    VAL   83   2.67 +/- 0.30  99.436% * 99.8380% (1.00  10.0 10.00   4.43  87.04) = 100.000%  kept
          QD1   ILE   89 - HA    VAL   83   7.09 +/- 0.88   0.448% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    VAL   83   8.72 +/- 0.84   0.115% *  0.0725% (0.73   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 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.0:
    * O T HA    VAL   83 - HB    VAL   83   2.91 +/- 0.14  99.993% * 97.8171% (0.90  10.0 10.00   3.97  87.04) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  19.42 +/- 1.22   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  20.06 +/- 1.21   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  20.01 +/- 1.23   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  16.62 +/- 1.42   0.004% *  0.0439% (0.40   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 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.777, support = 4.28, residual support = 87.0:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.02  83.893% * 99.2503% (0.78  10.0 10.00   4.29  87.04) =  99.918%  kept
          QD2   LEU   80 - HB    VAL   83   3.81 +/- 1.26  15.924% *  0.4292% (0.72   1.0  1.00   0.09   0.02) =   0.082%
          QG2   ILE   89 - HB    VAL   83   6.77 +/- 0.78   0.129% *  0.0285% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   7.54 +/- 0.99   0.051% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  13.24 +/- 1.61   0.002% *  0.0470% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  16.61 +/- 1.61   0.000% *  0.1104% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.16 +/- 1.72   0.000% *  0.0874% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.49, residual support = 87.0:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.02  99.647% * 99.8380% (0.90  10.0 10.00   4.49  87.04) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.88 +/- 1.25   0.309% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   8.02 +/- 0.82   0.044% *  0.0725% (0.65   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 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 87.0:
    * O T HA    VAL   83 - QG1   VAL   83   2.23 +/- 0.26  99.995% * 99.7372% (0.87  10.0 10.00   4.23  87.04) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  15.47 +/- 1.16   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  15.38 +/- 1.42   0.002% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.09 +/- 1.34   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  15.84 +/- 1.21   0.001% *  0.0197% (0.17   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 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.0:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.02  99.985% * 99.3915% (0.78  10.0 10.00   4.29  87.04) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.39 +/- 1.42   0.006% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  13.76 +/- 1.36   0.002% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  15.70 +/- 1.56   0.001% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  13.68 +/- 1.42   0.002% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.36 +/- 0.82   0.003% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.39 +/- 1.57   0.001% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  18.78 +/- 1.49   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.54 +/- 1.41   0.001% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.06 +/- 1.82   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  23.07 +/- 1.56   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.66 +/- 1.68   0.000% *  0.0219% (0.17   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 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 = 87.0:
    * O T QG2   VAL   83 - QG1   VAL   83   2.05 +/- 0.05  99.513% * 99.0399% (0.87  10.0 10.00   4.78  87.04) =  99.998%  kept
        T QD1   ILE   89 - QG1   VAL   83   6.63 +/- 1.06   0.199% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - QG1   VAL   83   5.82 +/- 0.76   0.288% *  0.0719% (0.63   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 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 87.0:
    * O T HA    VAL   83 - QG2   VAL   83   2.67 +/- 0.30  99.984% * 99.7372% (1.00  10.0 10.00   4.43  87.04) = 100.000%  kept
          HA    GLU- 100 - QG2   VAL   83  15.13 +/- 1.23   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG2   VAL   83  13.90 +/- 1.26   0.008% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.58 +/- 1.07   0.002% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  15.71 +/- 1.38   0.003% *  0.0197% (0.20   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 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.49, residual support = 87.0:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.02  99.980% * 99.3915% (0.90  10.0 10.00   4.49  87.04) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.66 +/- 1.06   0.008% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.52 +/- 1.15   0.003% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.14 +/- 1.62   0.003% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  14.82 +/- 1.07   0.001% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.23 +/- 1.57   0.001% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.69 +/- 0.74   0.002% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  13.74 +/- 1.38   0.002% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  17.28 +/- 1.36   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.32 +/- 1.58   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.64 +/- 1.36   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.24 +/- 1.43   0.000% *  0.0219% (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 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.78, residual support = 87.0:
    * O T QG1   VAL   83 - QG2   VAL   83   2.05 +/- 0.05  86.406% * 99.3306% (0.87  10.0 10.00   4.78  87.04) =  99.985%  kept
          QD2   LEU   80 - QG2   VAL   83   3.61 +/- 1.06  12.980% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.014%
        T QG2   ILE   89 - QG2   VAL   83   5.33 +/- 0.77   0.416% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - QG2   VAL   83   5.93 +/- 0.78   0.189% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  10.48 +/- 1.33   0.007% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  12.92 +/- 1.27   0.002% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.69 +/- 1.57   0.001% *  0.0875% (0.76   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 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.92, residual support = 18.3:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.661% * 99.1332% (0.93  10.0 10.00   2.92  18.34) = 100.000%  kept
          HB3   LEU   80 - HA    ALA   84   6.36 +/- 1.13   0.323% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  11.69 +/- 0.64   0.004% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.44 +/- 0.56   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  13.15 +/- 1.52   0.002% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.76 +/- 1.46   0.002% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  15.79 +/- 1.24   0.001% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  14.77 +/- 1.07   0.001% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.57 +/- 1.36   0.002% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  15.11 +/- 1.19   0.001% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  18.63 +/- 1.92   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.29 +/- 1.94   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  24.68 +/- 1.20   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  19.73 +/- 1.44   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.80 +/- 1.52   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  21.43 +/- 1.35   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  23.85 +/- 1.55   0.000% *  0.0180% (0.17   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 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   2.12 +/- 0.01  99.989% * 99.6067% (0.93  10.0 10.00   2.92  18.34) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  10.99 +/- 1.13   0.006% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  11.90 +/- 1.14   0.004% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  16.93 +/- 0.73   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  17.37 +/- 0.79   0.000% *  0.1012% (0.95   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 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   2.41 +/- 0.09  50.766% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.973%  kept
          HA    ALA   88 - HA    SER   85   2.42 +/- 0.14  49.213% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.027%
        T QB    SER   48 - HA    SER   85  12.08 +/- 2.00   0.006% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85   9.83 +/- 0.57   0.012% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.17 +/- 1.62   0.001% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  19.62 +/- 1.79   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  14.81 +/- 2.03   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.56 +/- 0.91   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  24.80 +/- 0.86   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  21.40 +/- 1.04   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  28.79 +/- 1.56   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.72 +/- 1.02   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  26.36 +/- 1.16   0.000% *  0.0403% (0.41   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 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   2.41 +/- 0.09  92.928% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.997%  kept
          HA    ASP-  86 - QB    SER   85   4.05 +/- 0.18   4.522% *  0.0361% (0.38   1.0  1.00   0.02  13.43) =   0.002%
          HB    THR   77 - QB    SER   48   5.78 +/- 1.59   1.916% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.001%
        T HA1   GLY   51 - QB    SER   48   8.05 +/- 0.42   0.071% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   7.39 +/- 1.66   0.449% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.86 +/- 1.34   0.050% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  12.08 +/- 2.00   0.011% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.57 +/- 0.62   0.014% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.97 +/- 1.60   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.68 +/- 1.30   0.004% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.40 +/- 1.50   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  14.10 +/- 0.62   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.77 +/- 0.52   0.004% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  10.85 +/- 1.16   0.014% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  12.83 +/- 0.66   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.72 +/- 1.17   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  21.66 +/- 1.18   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.59 +/- 1.41   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.26 +/- 1.12   0.000% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.56 +/- 0.91   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.30 +/- 1.55   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  17.86 +/- 1.48   0.001% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.42 +/- 0.97   0.004% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.11 +/- 0.73   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  19.08 +/- 1.33   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.40 +/- 1.09   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.99 +/- 2.20   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  24.42 +/- 0.55   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  22.39 +/- 0.86   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.58 +/- 1.77   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  25.42 +/- 2.12   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  32.11 +/- 3.43   0.000% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.57 +/- 3.27   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.92 +/- 1.24   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.49 +/- 2.39   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.84 +/- 2.09   0.000% *  0.0061% (0.06   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 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 = 3.49, residual support = 41.9:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.05 +/- 0.01  99.973% * 99.6568% (1.00  10.0 10.00   3.49  41.90) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.29 +/- 1.27   0.018% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.59 +/- 2.17   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.55 +/- 1.47   0.002% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.23 +/- 0.60   0.005% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  23.13 +/- 1.33   0.001% *  0.0920% (0.92   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 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.55 +/- 0.07  99.974% * 98.9853% (1.00  10.0 10.00   2.00  41.90) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  86  11.77 +/- 1.47   0.015% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    ASP-  86  12.22 +/- 0.57   0.009% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.46 +/- 1.51   0.001% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  24.51 +/- 0.77   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.87 +/- 1.05   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.82 +/- 1.36   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  23.80 +/- 1.15   0.000% *  0.0173% (0.18   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 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.49, residual support = 41.9:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.05 +/- 0.01  97.543% * 99.5343% (1.00  10.0 10.00   3.49  41.90) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.69 +/- 0.11   2.332% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.001%
          HB    THR   77 - HB2   ASP-  86  10.61 +/- 1.78   0.078% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  12.25 +/- 0.84   0.026% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.56 +/- 1.63   0.017% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.33 +/- 1.54   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.51 +/- 1.14   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.34 +/- 1.97   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.07 +/- 2.30   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.990% * 99.6638% (1.00  10.0 10.00   2.87  41.90) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  86   9.61 +/- 1.38   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   ASP-  86   9.90 +/- 0.66   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.86 +/- 1.38   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  15.76 +/- 1.20   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  21.82 +/- 0.80   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  23.12 +/- 1.51   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  21.79 +/- 0.92   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.9:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.55 +/- 0.07  99.350% * 99.5343% (1.00  10.0 10.00   2.00  41.90) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.06 +/- 0.41   0.622% *  0.0374% (0.38   1.0  1.00   0.02  13.43) =   0.000%
          HB    THR   77 - HB3   ASP-  86  11.58 +/- 1.68   0.016% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  13.51 +/- 0.93   0.005% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.35 +/- 2.10   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.19 +/- 2.03   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  26.99 +/- 1.22   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  31.72 +/- 1.97   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  34.40 +/- 2.41   0.000% *  0.0484% (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 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 41.9:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.87  41.90) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.36 +/- 1.27   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  17.79 +/- 2.15   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  17.60 +/- 1.47   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.21 +/- 0.87   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  21.49 +/- 1.24   0.000% *  0.0920% (0.92   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 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB2   TRP   87 - HA    TRP   87   2.23 +/- 0.03 100.000% * 99.9010% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  17.38 +/- 1.00   0.000% *  0.0990% (0.99   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 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HB3   TRP   87 - HA    TRP   87   2.91 +/- 0.06  99.997% * 99.8563% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.54 +/- 1.70   0.003% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  24.53 +/- 1.33   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 70.4:
    * O T HA    TRP   87 - HB2   TRP   87   2.23 +/- 0.03  99.997% * 99.8808% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.75 +/- 1.75   0.003% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  18.98 +/- 1.20   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  27.44 +/- 1.43   0.000% *  0.0135% (0.14   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 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.75 +/- 1.64   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  22.68 +/- 1.30   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 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 70.4:
    * O T HA    TRP   87 - HB3   TRP   87   2.91 +/- 0.06  99.990% * 99.3033% (1.00  10.0 10.00   4.31  70.42) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  18.23 +/- 1.06   0.002% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  14.76 +/- 1.60   0.008% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  27.31 +/- 1.22   0.000% *  0.0134% (0.14   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 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 70.4:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  70.42) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  14.57 +/- 1.00   0.000% *  0.0990% (0.99   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 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 = 2.13, residual support = 11.3:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  99.943% * 99.6403% (1.00  10.0 10.00   2.13  11.30) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   8.37 +/- 1.64   0.051% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  11.25 +/- 0.82   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  18.36 +/- 1.77   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  18.17 +/- 0.83   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  24.03 +/- 1.74   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  19.72 +/- 0.99   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  26.79 +/- 1.96   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.13, residual support = 11.3:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  99.575% * 97.3461% (1.00  10.0 10.00   2.13  11.30) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   5.33 +/- 0.16   0.415% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.79 +/- 0.22   0.006% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.77 +/- 1.89   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  14.29 +/- 2.03   0.002% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  18.98 +/- 0.88   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.61 +/- 0.77   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  19.33 +/- 1.10   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  21.46 +/- 0.88   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  21.61 +/- 0.75   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.76 +/- 1.58   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 214.9:
    * O T HB    ILE   89 - HA    ILE   89   3.00 +/- 0.03  99.833% * 99.6008% (0.80  10.0 10.00   5.44 214.85) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  10.26 +/- 0.95   0.073% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.60 +/- 0.98   0.068% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  12.19 +/- 0.61   0.024% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  19.85 +/- 1.36   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  20.09 +/- 1.46   0.001% *  0.0192% (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 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.9:
    * O T QG2   ILE   89 - HA    ILE   89   2.37 +/- 0.21  99.954% * 99.9320% (1.00  10.0 10.00   6.28 214.85) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.15 +/- 0.86   0.044% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  15.98 +/- 1.29   0.002% *  0.0154% (0.15   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 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 214.9:
    * O T HG12  ILE   89 - HA    ILE   89   2.84 +/- 0.43  99.983% * 99.3078% (1.00  10.0 10.00   5.71 214.85) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  14.45 +/- 1.16   0.008% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  22.13 +/- 1.52   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  15.68 +/- 1.56   0.005% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.40 +/- 1.39   0.001% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  23.17 +/- 1.14   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  22.53 +/- 0.95   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.02 +/- 1.09   0.001% *  0.0248% (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 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.9:
    * O T HA    ILE   89 - HB    ILE   89   3.00 +/- 0.03  99.708% * 99.2091% (0.80  10.0 10.00   5.44 214.85) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  10.26 +/- 0.95   0.073% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89   9.68 +/- 0.41   0.091% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.50 +/- 1.83   0.024% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  12.46 +/- 1.61   0.030% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  15.69 +/- 0.83   0.005% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.90 +/- 0.80   0.017% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.62 +/- 0.96   0.012% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.35 +/- 0.72   0.006% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.04 +/- 0.85   0.027% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  21.93 +/- 1.05   0.001% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  23.43 +/- 1.24   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  18.74 +/- 0.92   0.002% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.80 +/- 1.13   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  27.71 +/- 1.47   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.09 +/- 1.30   0.002% *  0.0043% (0.03   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 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.9:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.02  99.499% * 99.5317% (0.80  10.0 10.00   5.75 214.85) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   6.88 +/- 0.86   0.110% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.08 +/- 0.71   0.099% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   7.03 +/- 1.54   0.286% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.86 +/- 0.59   0.006% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  15.98 +/- 1.47   0.001% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.16, residual support = 214.9:
    * O T HG12  ILE   89 - HB    ILE   89   2.62 +/- 0.19  99.734% * 98.9436% (0.80  10.0 10.00   5.16 214.85) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   8.48 +/- 0.84   0.119% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   8.75 +/- 0.98   0.100% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  14.73 +/- 0.64   0.004% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  13.69 +/- 1.54   0.007% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  16.43 +/- 1.29   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  21.73 +/- 1.66   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  12.51 +/- 1.06   0.012% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  13.08 +/- 1.24   0.008% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.36 +/- 0.95   0.011% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  18.53 +/- 1.40   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  21.48 +/- 1.50   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  20.85 +/- 1.16   0.000% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  19.89 +/- 1.21   0.001% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.59 +/- 1.24   0.000% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  20.78 +/- 1.47   0.000% *  0.0067% (0.05   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 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.9:
    * O T HA    ILE   89 - QG2   ILE   89   2.37 +/- 0.21  99.917% * 99.5272% (1.00  10.0 10.00   6.28 214.85) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.56 +/- 0.55   0.035% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.90 +/- 1.43   0.037% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  11.51 +/- 0.64   0.008% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.12 +/- 0.73   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  19.58 +/- 0.90   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.04 +/- 0.77   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.80 +/- 1.23   0.000% *  0.0941% (0.95   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 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.9:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.02  99.825% * 99.0138% (0.80  10.0 10.00   5.75 214.85) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   6.88 +/- 0.86   0.110% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.83 +/- 0.61   0.044% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   8.93 +/- 0.62   0.019% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  15.85 +/- 1.04   0.001% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  16.19 +/- 1.04   0.001% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 6.04, residual support = 214.9:
    * O T HG12  ILE   89 - QG2   ILE   89   3.11 +/- 0.18  99.856% * 99.3078% (1.00  10.0 10.00   6.04 214.85) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89  10.68 +/- 1.35   0.086% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  12.11 +/- 1.00   0.034% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  17.79 +/- 1.13   0.003% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.33 +/- 1.19   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  17.61 +/- 1.13   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.02 +/- 0.85   0.004% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.35 +/- 1.05   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 214.9:
    * O T HA    ILE   89 - HG12  ILE   89   2.84 +/- 0.43  99.748% * 98.5945% (1.00  10.0 10.00   5.71 214.85) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   9.30 +/- 0.84   0.117% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89  10.53 +/- 1.34   0.068% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  11.35 +/- 1.09   0.037% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.04 +/- 1.36   0.005% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  22.13 +/- 1.52   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  14.79 +/- 1.85   0.011% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.34 +/- 1.28   0.004% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  21.36 +/- 0.90   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  20.34 +/- 1.93   0.001% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  22.90 +/- 0.79   0.001% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  18.77 +/- 0.94   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  16.50 +/- 1.10   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  27.94 +/- 1.32   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  25.06 +/- 2.16   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  30.47 +/- 1.39   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.669, support = 5.26, residual support = 206.7:
    * O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.19  32.405% * 78.0851% (0.80  10.0 10.00   5.16 214.85) =  81.009%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.90 +/- 0.26  20.708% * 14.8429% (0.15  10.0  1.00   4.99 172.02) =   9.840%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.47 +/- 0.17  46.838% *  6.1021% (0.06  10.0 10.00   6.44 172.02) =   9.150%  kept
        T HB    VAL   43 - HG12  ILE   89   8.48 +/- 0.84   0.034% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.75 +/- 1.28   0.009% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  14.73 +/- 0.64   0.001% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.82 +/- 1.26   0.003% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.43 +/- 1.59   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.73 +/- 1.66   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.43 +/- 1.28   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.22 +/- 1.38   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.25 +/- 1.07   0.000% *  0.0069% (0.07   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 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 214.8:
    * O T QG2   ILE   89 - HG12  ILE   89   3.11 +/- 0.18  65.733% * 99.5013% (1.00  10.0 10.00   6.04 214.85) =  99.996%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.55 +/- 0.48  33.378% *  0.0062% (0.06   1.0  1.00   0.02  17.00) =   0.003%
          QG1   VAL   83 - HG12  ILE   89   7.44 +/- 1.37   0.878% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  17.79 +/- 1.13   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  14.78 +/- 1.48   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.40 +/- 1.49   0.002% *  0.0212% (0.21   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 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 90.0:
    * O T HB2   GLN   90 - HA    GLN   90   2.57 +/- 0.25  99.982% * 98.5005% (0.78  10.0 10.00   3.96  89.96) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  12.35 +/- 2.15   0.018% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  23.44 +/- 1.55   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.13 +/- 1.60   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.98 +/- 1.20   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  29.45 +/- 1.21   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HB3   GLN   90 - HA    GLN   90   2.91 +/- 0.15  98.826% * 99.0333% (0.82  10.0 10.00   3.97  89.96) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   7.22 +/- 1.38   0.862% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - HA    GLN   90   7.94 +/- 0.42   0.263% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  12.11 +/- 1.04   0.023% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.27 +/- 1.22   0.009% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.43 +/- 2.27   0.009% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.09 +/- 1.53   0.002% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.61 +/- 0.90   0.002% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  18.57 +/- 2.72   0.003% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.69 +/- 1.71   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.35 +/- 1.35   0.001% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  25.86 +/- 1.49   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.71 +/- 1.20   0.000% *  0.0990% (0.82   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 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T QG    GLN   90 - HA    GLN   90   2.50 +/- 0.39  99.803% * 99.3855% (0.88  10.0 10.00   3.31  89.96) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   8.82 +/- 0.85   0.190% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  13.67 +/- 1.79   0.004% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  18.27 +/- 1.81   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  18.36 +/- 1.28   0.001% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.93 +/- 1.65   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  26.36 +/- 2.16   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  22.44 +/- 1.68   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  34.02 +/- 3.09   0.000% *  0.0761% (0.67   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 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 90.0:
    * O T HA    GLN   90 - HB2   GLN   90   2.57 +/- 0.25  99.966% * 98.8405% (0.78  10.0 10.00   3.96  89.96) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  12.35 +/- 2.15   0.018% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.03 +/- 1.73   0.007% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.00 +/- 1.55   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.06 +/- 0.97   0.002% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.08 +/- 1.69   0.004% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.45 +/- 0.69   0.001% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.75 +/- 2.53   0.001% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.14 +/- 1.38   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.50 +/- 1.21   0.000% *  0.0113% (0.09   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 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.902% * 96.7995% (0.67  10.0 10.00   3.99  89.96) = 100.000%  kept
          QB    LYS+  81 - HB2   GLN   90   7.47 +/- 2.17   0.064% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   GLU-  79   7.13 +/- 0.39   0.024% *  0.0752% (0.52   1.0  1.00   0.02   1.54) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.83 +/- 0.74   0.007% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  14.40 +/- 2.47   0.001% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.15 +/- 1.56   0.001% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  12.85 +/- 0.95   0.001% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.89 +/- 1.35   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.66 +/- 2.35   0.000% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.17 +/- 0.84   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.29 +/- 1.11   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  17.00 +/- 1.86   0.000% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.73 +/- 1.77   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.10 +/- 1.96   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.94 +/- 1.82   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  20.07 +/- 1.47   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.28 +/- 1.09   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  18.47 +/- 2.05   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  21.41 +/- 1.48   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  20.47 +/- 2.60   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.85 +/- 1.16   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.72 +/- 1.47   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.30 +/- 1.11   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  23.74 +/- 0.97   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.95 +/- 0.85   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  27.88 +/- 1.41   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB2   GLN   90   2.39 +/- 0.12  99.920% * 96.7466% (0.72  10.0 10.00   3.63  89.96) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.42 +/- 3.01   0.027% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.60 +/- 1.07   0.036% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.18 +/- 0.88   0.006% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  14.25 +/- 1.01   0.003% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  14.21 +/- 1.30   0.003% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.88 +/- 1.33   0.001% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  25.66 +/- 2.69   0.000% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.49 +/- 1.54   0.001% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.27 +/- 1.54   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.74 +/- 1.27   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.88 +/- 1.63   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  20.15 +/- 1.13   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  17.40 +/- 2.43   0.001% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  21.08 +/- 1.24   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.81 +/- 2.84   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.74 +/- 1.43   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  28.20 +/- 2.01   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 0.05 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 90.0:
    * O T HA    GLN   90 - HB3   GLN   90   2.91 +/- 0.15  99.970% * 99.7400% (0.82  10.0 10.00   3.97  89.96) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.62 +/- 1.89   0.016% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  17.97 +/- 1.28   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.50 +/- 1.72   0.010% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  18.12 +/- 1.14   0.002% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 90.0:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 98.2851% (0.67  10.0 10.00   3.99  89.96) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  14.40 +/- 2.47   0.001% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  24.95 +/- 2.08   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.60 +/- 2.21   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  27.22 +/- 1.55   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  30.71 +/- 1.50   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T QG    GLN   90 - HB3   GLN   90   2.39 +/- 0.13  99.943% * 99.3855% (0.75  10.0 10.00   3.63  89.96) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.42 +/- 1.11   0.055% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.80 +/- 1.39   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  20.10 +/- 1.83   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  19.83 +/- 1.18   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.67 +/- 1.69   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  28.27 +/- 2.18   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.95 +/- 2.17   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.95 +/- 2.99   0.000% *  0.0761% (0.57   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 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 90.0:
    * O T HA    GLN   90 - QG    GLN   90   2.50 +/- 0.39  99.942% * 99.7400% (0.88  10.0 10.00   3.31  89.96) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.93 +/- 1.85   0.026% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.07 +/- 1.93   0.027% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  16.61 +/- 1.18   0.002% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  15.18 +/- 0.74   0.003% *  0.0495% (0.44   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 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 90.0:
    * O T HB2   GLN   90 - QG    GLN   90   2.39 +/- 0.12  99.972% * 97.8434% (0.72  10.0 10.00   3.63  89.96) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.42 +/- 3.01   0.027% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  20.25 +/- 1.94   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  20.58 +/- 1.87   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  22.92 +/- 1.17   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  26.10 +/- 1.04   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 90.0:
    * O T HB3   GLN   90 - QG    GLN   90   2.39 +/- 0.13  95.480% * 98.5216% (0.75  10.0 10.00   3.63  89.96) =  99.995%  kept
          QB    LYS+  81 - QG    GLN   90   6.01 +/- 2.57   4.411% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.005%
        T HB2   MET   92 - QG    GLN   90   8.65 +/- 0.93   0.079% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  11.00 +/- 1.64   0.022% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.35 +/- 1.01   0.002% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.61 +/- 2.15   0.002% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.78 +/- 1.95   0.002% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  17.02 +/- 1.55   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  17.50 +/- 1.89   0.001% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  19.81 +/- 1.42   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  18.14 +/- 2.19   0.001% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.46 +/- 1.08   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  23.86 +/- 1.24   0.000% *  0.0621% (0.47   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 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 = 2.27, residual support = 12.9:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.01  99.980% * 98.3255% (1.00  10.0 10.00   2.27  12.89) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.42 +/- 1.39   0.019% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.93 +/- 0.62   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  18.53 +/- 0.98   0.000% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  17.30 +/- 1.56   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.66 +/- 0.49   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  25.15 +/- 1.09   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.56 +/- 1.22   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  26.88 +/- 1.00   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.32 +/- 1.20   0.000% *  0.0882% (0.90   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 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 12.9:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.01  99.618% * 99.0540% (1.00  10.0 10.00   2.27  12.89) = 100.000%  kept
          HA    ALA  110 - QB    ALA   91   8.01 +/- 1.89   0.243% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91   9.69 +/- 2.10   0.036% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91   8.94 +/- 1.56   0.036% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.52 +/- 0.51   0.060% *  0.0096% (0.10   1.0  1.00   0.02   1.57) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.47 +/- 0.94   0.005% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.93 +/- 0.62   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  17.69 +/- 0.59   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  18.53 +/- 0.98   0.000% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  17.20 +/- 0.62   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  21.63 +/- 1.29   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.90 +/- 0.84   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  24.64 +/- 0.92   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  21.74 +/- 1.23   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  22.95 +/- 1.82   0.000% *  0.0021% (0.02   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 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.97 +/- 0.04 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.41) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   3.89 +/- 0.08  88.642% * 99.2584% (0.73  10.0 10.00   5.40 132.41) =  99.994%  kept
          HG3   PRO   52 - HD2   PRO   93   6.64 +/- 1.64   8.280% *  0.0306% (0.22   1.0  1.00   0.02   0.71) =   0.003%
          HB    VAL  108 - HD2   PRO   93   7.09 +/- 0.68   2.759% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HD2   PRO   93  11.26 +/- 1.33   0.189% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.59 +/- 1.23   0.088% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  14.52 +/- 1.12   0.037% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.76 +/- 1.47   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  22.90 +/- 1.01   0.002% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  26.83 +/- 0.44   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  30.50 +/- 1.91   0.000% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  39.08 +/- 3.22   0.000% *  0.0408% (0.30   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 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.30 +/- 0.00  99.414% * 99.4388% (0.73  10.0 10.00   4.00 132.41) = 100.000%  kept
          HB3   PRO   52 - HD2   PRO   93   6.00 +/- 1.36   0.583% *  0.0307% (0.22   1.0  1.00   0.02   0.71) =   0.000%
          QB    LYS+  66 - HD2   PRO   93  16.54 +/- 0.89   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  16.90 +/- 0.57   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  16.72 +/- 0.95   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  19.94 +/- 0.93   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  20.03 +/- 0.63   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  19.76 +/- 1.05   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  24.10 +/- 0.65   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  25.29 +/- 1.28   0.000% *  0.0276% (0.20   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 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.908% * 98.6805% (0.65  10.0 10.00   4.00 132.41) = 100.000%  kept
          QB    PHE   55 - HD2   PRO   93   6.80 +/- 1.21   0.068% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   93   8.28 +/- 1.58   0.020% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.19 +/- 0.87   0.003% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.36 +/- 1.58   0.001% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  20.76 +/- 1.10   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.80 +/- 0.04  99.991% * 99.8223% (0.90  10.0 10.00   5.31 132.41) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  17.98 +/- 1.04   0.009% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.892, support = 5.36, residual support = 131.3:
    * O T HB2   PRO   93 - HD3   PRO   93   4.05 +/- 0.18  71.276% * 95.1810% (0.90  10.0 10.00   5.40 132.41) =  99.147%  kept
          HG3   PRO   52 - HD3   PRO   93   5.52 +/- 1.88  26.641% *  2.1724% (0.28   1.0  1.00   1.48   0.71) =   0.846%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.86 +/- 1.70   0.530% *  0.8256% (0.78   1.0 10.00   0.02   0.02) =   0.006%
          HB    VAL  108 - HD3   PRO   93   8.62 +/- 0.66   0.882% *  0.0762% (0.72   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD3   PRO   93  11.79 +/- 1.28   0.147% *  0.0294% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  10.64 +/- 1.51   0.315% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.95 +/- 2.08   0.044% *  0.0636% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  17.12 +/- 1.07   0.015% *  0.1694% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  14.64 +/- 1.26   0.044% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  16.85 +/- 1.40   0.018% *  0.0471% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  23.85 +/- 1.44   0.002% *  0.2646% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.68 +/- 1.30   0.003% *  0.1469% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  23.76 +/- 3.08   0.003% *  0.0696% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  14.65 +/- 1.25   0.037% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  30.33 +/- 2.00   0.000% *  0.3572% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.06 +/- 1.25   0.015% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.04 +/- 1.85   0.016% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  23.10 +/- 0.90   0.002% *  0.0539% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  19.76 +/- 2.06   0.007% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  38.84 +/- 3.38   0.000% *  0.3913% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.67 +/- 0.70   0.001% *  0.0463% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  24.28 +/- 1.57   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.38 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.89, support = 3.96, residual support = 131.0:
    * O T HG2   PRO   93 - HD3   PRO   93   2.91 +/- 0.01  64.148% * 88.9887% (0.90  10.0 10.00   4.00 132.41) =  98.906%  kept
        T HB3   PRO   52 - HD3   PRO   93   4.86 +/- 1.67   6.124% * 10.2448% (0.28   1.0 10.00   0.75   0.71) =   1.087%  kept
          QB    LYS+  66 - HD3   PRO   68   3.82 +/- 1.19  29.086% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  65 - HD3   PRO   68   7.05 +/- 0.96   0.444% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  10.13 +/- 0.72   0.039% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68   9.61 +/- 1.78   0.074% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  10.18 +/- 1.55   0.060% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  16.38 +/- 0.84   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  16.46 +/- 0.70   0.002% *  0.0743% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  19.00 +/- 1.20   0.001% *  0.1584% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.02 +/- 1.29   0.010% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  17.76 +/- 1.07   0.001% *  0.0504% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  16.84 +/- 2.26   0.003% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  20.96 +/- 1.11   0.000% *  0.0821% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  20.61 +/- 0.62   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  16.50 +/- 2.11   0.003% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  19.91 +/- 1.23   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  24.33 +/- 0.62   0.000% *  0.0713% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  23.64 +/- 1.12   0.000% *  0.0489% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  25.08 +/- 1.34   0.000% *  0.0247% (0.25   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 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.998% * 99.5607% (0.65  10.0 10.00   4.00 132.41) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  11.92 +/- 1.29   0.001% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  20.76 +/- 1.10   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  20.70 +/- 0.83   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  20.77 +/- 0.94   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  20.49 +/- 0.95   0.000% *  0.0177% (0.12   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 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.69 +/- 0.13  99.248% * 99.2584% (1.00  10.0 10.00   5.98 132.41) = 100.000%  kept
          HB    VAL  108 - HA    PRO   93   7.85 +/- 1.02   0.317% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    PRO   93   7.59 +/- 1.54   0.371% *  0.0306% (0.31   1.0  1.00   0.02   0.71) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.13 +/- 0.96   0.025% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  10.92 +/- 1.07   0.029% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  13.33 +/- 1.11   0.008% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  20.24 +/- 1.42   0.001% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  19.51 +/- 0.92   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.65 +/- 0.39   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  26.81 +/- 1.98   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  35.47 +/- 3.08   0.000% *  0.0408% (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 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.02  95.768% * 99.4388% (1.00  10.0 10.00   5.31 132.41) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   7.50 +/- 1.22   4.053% *  0.0307% (0.31   1.0  1.00   0.02   0.71) =   0.001%
          QB    LYS+  66 - HA    PRO   93  14.11 +/- 0.80   0.051% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  14.01 +/- 0.70   0.052% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.10 +/- 0.89   0.034% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  17.20 +/- 0.48   0.015% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.78 +/- 0.66   0.009% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  20.84 +/- 0.61   0.005% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  18.42 +/- 1.02   0.010% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  21.68 +/- 1.33   0.004% *  0.0276% (0.28   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 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.97 +/- 0.04  99.229% * 99.7770% (0.73  10.0 10.00   5.31 132.41) =  99.999%  kept
          HA    THR   77 - HA    PRO   93   9.35 +/- 0.97   0.757% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HA    PRO   93  17.39 +/- 0.67   0.014% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.34 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HD3   PRO   93 - HA    PRO   93   3.80 +/- 0.04  88.418% * 98.6805% (0.90  10.0 10.00   5.31 132.41) =  99.987%  kept
          HB3   CYS   53 - HA    PRO   93   6.50 +/- 1.34   7.123% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          QB    PHE   55 - HA    PRO   93   7.45 +/- 1.08   3.200% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PRO   93   8.19 +/- 0.92   1.171% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.44 +/- 1.06   0.080% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  17.98 +/- 1.04   0.008% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1081 (2.06, 2.06, 34.10 ppm):
    2 diagonal assignments:
    *     HB2   PRO   93 - HB2   PRO   93  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.02)  kept
 
    Peak 1082 (1.81, 2.06, 34.10 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.40 +/- 0.22  99.703% * 99.0260% (1.00  10.0 10.00   5.40 132.41) = 100.000%  kept
        T HB3   PRO   52 - HB2   PRO   93   8.11 +/- 1.30   0.122% *  0.3056% (0.31   1.0 10.00   0.02   0.71) =   0.000%
          HB2   LEU   71 - HG3   GLN   30   9.19 +/- 1.18   0.090% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  13.29 +/- 0.86   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.29 +/- 1.28   0.054% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  13.78 +/- 0.61   0.004% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  11.55 +/- 1.23   0.012% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  14.89 +/- 1.22   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.33 +/- 0.78   0.001% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  18.32 +/- 1.08   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  16.59 +/- 1.04   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  20.82 +/- 0.73   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  14.92 +/- 1.66   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  23.39 +/- 1.43   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  16.39 +/- 1.46   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.60 +/- 1.33   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.61 +/- 1.41   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  21.87 +/- 1.31   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.74 +/- 2.14   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.69 +/- 1.93   0.000% *  0.0024% (0.02   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 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   3.89 +/- 0.08  96.789% * 99.6822% (0.73  10.0 10.00   5.40 132.41) = 100.000%  kept
          HB2   TRP   27 - HG3   GLN   30   7.10 +/- 0.55   2.984% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HB2   PRO   93  11.66 +/- 1.13   0.187% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  19.01 +/- 0.70   0.007% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.44 +/- 1.50   0.030% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.76 +/- 1.47   0.002% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 5.4, residual support = 132.4:
    * O T HD3   PRO   93 - HB2   PRO   93   4.05 +/- 0.18  80.300% * 97.4649% (0.90  10.0 10.00   5.40 132.41) =  99.977%  kept
          QB    PHE   55 - HB2   PRO   93   6.76 +/- 1.23   8.675% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.010%
          HB3   CYS   53 - HB2   PRO   93   7.61 +/- 1.91   6.406% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          HB2   PHE   59 - HB2   PRO   93   7.02 +/- 0.98   4.470% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.003%
        T HD2   ARG+  54 - HB2   PRO   93  12.69 +/- 1.59   0.100% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB2   PRO   93  17.12 +/- 1.07   0.016% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  16.85 +/- 1.40   0.019% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  23.85 +/- 1.44   0.002% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  28.86 +/- 1.69   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.28 +/- 1.62   0.003% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.94 +/- 1.61   0.005% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.97 +/- 1.80   0.002% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.02 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.41) = 100.000%  kept
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.40 +/- 0.22  99.555% * 98.7141% (1.00  10.0 10.00   5.40 132.41) =  99.999%  kept
        T HG3   PRO   52 - HG2   PRO   93   8.03 +/- 1.64   0.207% *  0.3047% (0.31   1.0 10.00   0.02   0.71) =   0.001%
          HB    VAL  108 - HG2   PRO   93   7.05 +/- 0.71   0.193% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  11.02 +/- 1.46   0.018% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93  11.07 +/- 1.49   0.020% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  12.36 +/- 1.13   0.007% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  23.39 +/- 1.43   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  22.58 +/- 1.05   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  25.87 +/- 0.67   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  29.50 +/- 1.81   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  38.04 +/- 3.37   0.000% *  0.0406% (0.41   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 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.30 +/- 0.00  99.996% * 99.7770% (0.73  10.0 10.00   4.00 132.41) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  13.04 +/- 1.10   0.004% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  20.85 +/- 0.71   0.000% *  0.0998% (0.73   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 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.91 +/- 0.01  95.308% * 98.6805% (0.90  10.0 10.00   4.00 132.41) =  99.996%  kept
          QB    PHE   55 - HG2   PRO   93   6.07 +/- 1.35   3.981% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   CYS   53 - HG2   PRO   93   8.32 +/- 1.72   0.466% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   PRO   93   8.38 +/- 0.99   0.220% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  12.32 +/- 1.69   0.023% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  19.00 +/- 1.20   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 25.2:
    * O T HB    THR   94 - HA    THR   94   3.05 +/- 0.03  99.851% * 99.2375% (0.84  10.0 10.00   2.43  25.23) = 100.000%  kept
          QB    SER   48 - HA    THR   94  12.72 +/- 1.01   0.022% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  12.64 +/- 0.83   0.023% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HA    THR   94  11.26 +/- 0.71   0.043% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.58 +/- 1.08   0.039% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  15.16 +/- 1.00   0.007% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.55 +/- 0.71   0.006% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.38 +/- 0.85   0.004% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  17.22 +/- 0.67   0.003% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  22.56 +/- 1.38   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.2:
    * O T QG2   THR   94 - HA    THR   94   2.28 +/- 0.13  99.979% * 99.7175% (1.00  10.0 10.00   2.95  25.23) = 100.000%  kept
          HG13  ILE  103 - HA    THR   94  10.06 +/- 0.71   0.016% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  13.41 +/- 1.13   0.003% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  14.38 +/- 1.17   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  19.49 +/- 0.75   0.000% *  0.0724% (0.73   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 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.2:
    * O T HA    THR   94 - HB    THR   94   3.05 +/- 0.03  99.963% * 99.9751% (0.84  10.0 10.00   2.43  25.23) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  11.49 +/- 0.56   0.037% *  0.0249% (0.21   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 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 = 25.2:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.991% * 99.7175% (0.84  10.0 10.00   2.43  25.23) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.72 +/- 0.85   0.008% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.69 +/- 1.15   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  16.43 +/- 1.21   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  19.08 +/- 0.92   0.000% *  0.0724% (0.61   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 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.2:
    * O T HA    THR   94 - QG2   THR   94   2.28 +/- 0.13  99.988% * 99.9751% (1.00  10.0 10.00   2.95  25.23) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94  10.68 +/- 0.62   0.012% *  0.0249% (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 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.2:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.944% * 99.2375% (0.84  10.0 10.00   2.43  25.23) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   8.70 +/- 0.64   0.028% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  10.46 +/- 1.02   0.009% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.97 +/- 0.75   0.006% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.69 +/- 0.82   0.008% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.80 +/- 0.77   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.31 +/- 0.64   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.38 +/- 0.76   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  15.26 +/- 0.77   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  19.10 +/- 0.96   0.000% *  0.0992% (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 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   2.95 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 3.72 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   2.62 +/- 0.24  99.994% * 99.8670% (1.00  10.0 10.00   4.00  73.49) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  14.00 +/- 1.02   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  20.53 +/- 0.93   0.000% *  0.0341% (0.34   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 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   2.95 +/- 0.19 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.999% * 99.8670% (1.00  10.0 10.00   3.31  73.49) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.57 +/- 0.98   0.001% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  23.31 +/- 0.90   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.62 +/- 0.24 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.49) = 100.000%  kept
    Distance limit 3.46 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  73.49) = 100.000%  kept
    Distance limit 2.62 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   3.01 +/- 0.04  99.113% * 99.6213% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   ASP- 105 - HA    MET   96   7.03 +/- 0.94   0.824% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    MET   96  11.03 +/- 0.71   0.044% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.05 +/- 0.62   0.007% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  15.14 +/- 0.53   0.006% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.06 +/- 1.20   0.005% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.72 +/- 1.05   0.001% *  0.0564% (0.55   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 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   2.73 +/- 0.09  99.984% * 99.7402% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  12.06 +/- 0.63   0.015% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  23.19 +/- 1.28   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  20.36 +/- 0.98   0.001% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  32.24 +/- 2.00   0.000% *  0.0685% (0.67   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 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   2.92 +/- 0.49  99.995% * 99.6261% (0.98  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.42 +/- 2.13   0.005% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.44 +/- 0.46  99.590% * 99.7437% (0.59  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   7.92 +/- 1.34   0.403% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.38 +/- 0.88   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.55 +/- 1.30   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  17.18 +/- 1.19   0.001% *  0.0457% (0.27   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 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   3.01 +/- 0.04  99.853% * 99.9773% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   9.52 +/- 1.04   0.147% *  0.0227% (0.22   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 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  99.999% * 99.7402% (1.00  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.46 +/- 0.55   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  21.12 +/- 1.43   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  21.25 +/- 0.96   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  30.24 +/- 1.87   0.000% *  0.0685% (0.69   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 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   2.52 +/- 0.31  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  17.57 +/- 2.07   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.79 +/- 0.28  99.524% * 99.7437% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96   7.57 +/- 1.31   0.469% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.26 +/- 1.38   0.002% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  14.91 +/- 0.73   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  19.32 +/- 1.02   0.001% *  0.0457% (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 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   2.73 +/- 0.09  99.968% * 99.9773% (0.98  10.0 10.00   5.00 115.56) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96  10.82 +/- 0.99   0.032% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.994% * 99.6213% (1.00  10.0 10.00   5.00 115.56) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.70 +/- 0.87   0.004% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  11.49 +/- 0.60   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.03 +/- 0.54   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  15.56 +/- 1.08   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.73 +/- 0.61   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.24 +/- 1.12   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.88 +/- 0.16  99.996% * 99.6261% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.20 +/- 2.16   0.004% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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   2.83 +/- 0.14  97.949% * 99.7437% (0.61  10.0 10.00   4.44 115.56) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   6.21 +/- 1.22   2.044% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HB3   MET   96  14.92 +/- 0.74   0.005% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  19.80 +/- 1.40   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.84 +/- 1.13   0.001% *  0.0457% (0.28   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 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   2.92 +/- 0.49  99.941% * 99.6779% (0.98  10.0 10.00   4.44 115.56) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  16.42 +/- 2.13   0.005% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  11.42 +/- 1.08   0.053% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  22.95 +/- 2.29   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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   2.52 +/- 0.31  99.859% * 99.2205% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   9.09 +/- 1.11   0.111% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  11.86 +/- 0.79   0.012% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  17.57 +/- 2.07   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  13.98 +/- 0.89   0.004% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  15.55 +/- 0.61   0.003% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  16.52 +/- 1.05   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.30 +/- 2.44   0.005% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  19.13 +/- 1.37   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  18.25 +/- 1.85   0.001% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  22.22 +/- 2.37   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.90 +/- 1.73   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  28.06 +/- 2.33   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.60 +/- 2.18   0.000% *  0.0212% (0.21   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 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.88 +/- 0.16  99.118% * 99.3732% (1.00  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.80 +/- 0.95   0.851% *  0.0073% (0.07   1.0  1.00   0.02   1.75) =   0.000%
          HB2   LEU   40 - HG2   MET   96  12.02 +/- 0.93   0.025% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.20 +/- 2.16   0.004% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.99 +/- 1.42   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  22.54 +/- 1.17   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  26.13 +/- 1.93   0.000% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.98 +/- 1.64   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  31.50 +/- 2.77   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  39.91 +/- 4.28   0.000% *  0.0201% (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 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  99.953% * 99.2819% (0.61  10.0 10.00   4.00 115.56) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   7.25 +/- 1.41   0.046% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.96 +/- 1.25   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  17.97 +/- 2.29   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  18.97 +/- 1.33   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  14.61 +/- 1.55   0.000% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.66 +/- 0.85   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.72 +/- 2.38   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.96 +/- 1.19   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.25 +/- 2.49   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   2.44 +/- 0.46  99.972% * 99.9773% (0.59  10.0 10.00   4.44 115.56) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  11.88 +/- 1.37   0.028% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.79 +/- 0.28  99.795% * 99.6213% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.59 +/- 1.02   0.174% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  12.03 +/- 0.92   0.018% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.45 +/- 0.83   0.006% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  15.66 +/- 0.61   0.004% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  16.78 +/- 1.22   0.002% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.70 +/- 1.43   0.001% *  0.0564% (0.34   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 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   2.83 +/- 0.14  99.981% * 99.7402% (0.61  10.0 10.00   4.44 115.56) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  12.32 +/- 0.86   0.018% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  23.46 +/- 1.77   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  22.15 +/- 1.22   0.000% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  32.44 +/- 1.97   0.000% *  0.0685% (0.42   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 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  17.97 +/- 2.29   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HB2   PHE   97 - HA    PHE   97   2.95 +/- 0.21  99.212% * 99.7149% (1.00  10.0 10.00   2.89  62.68) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   7.54 +/- 0.66   0.432% *  0.0724% (0.73   1.0  1.00   0.02   8.68) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.96 +/- 0.54   0.289% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.62 +/- 1.24   0.045% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  13.62 +/- 0.88   0.012% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.08 +/- 0.90   0.010% *  0.0197% (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 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   2.70 +/- 0.20  99.972% * 99.7224% (0.95  10.0 10.00   3.44  62.68) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.19 +/- 0.42   0.022% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.12 +/- 1.01   0.003% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.05 +/- 0.98   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  16.86 +/- 0.87   0.002% *  0.0185% (0.18   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 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HA    PHE   97 - HB2   PHE   97   2.95 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.68) = 100.000%  kept
    Distance limit 3.72 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  62.68) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.93 +/- 0.72   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.52 +/- 1.18   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.34 +/- 1.26   0.000% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  18.77 +/- 0.74   0.000% *  0.0185% (0.18   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 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   2.70 +/- 0.20 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.68) = 100.000%  kept
    Distance limit 3.49 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  99.936% * 99.7149% (0.95  10.0 10.00   3.31  62.68) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   6.85 +/- 0.83   0.038% *  0.0724% (0.69   1.0  1.00   0.02   8.68) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   7.49 +/- 0.96   0.024% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.71 +/- 1.32   0.001% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  16.13 +/- 0.82   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.46 +/- 1.22   0.000% *  0.0197% (0.19   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 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 = 83.4:
    * O T QB    LEU   98 - HA    LEU   98   2.18 +/- 0.06  99.909% * 99.2568% (0.87  10.0 10.00   4.97  83.36) = 100.000%  kept
          HB    VAL   42 - HA    LEU   98   7.79 +/- 0.68   0.069% *  0.0226% (0.20   1.0  1.00   0.02   0.76) =   0.000%
          HD3   LYS+ 121 - HA    LEU   98  11.46 +/- 2.36   0.011% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.34 +/- 1.23   0.004% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  15.62 +/- 1.88   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.43 +/- 1.34   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.32 +/- 0.45   0.000% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.31 +/- 1.02   0.001% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.95 +/- 1.31   0.001% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  14.30 +/- 1.06   0.001% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  15.84 +/- 0.79   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.70 +/- 1.57   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.95 +/- 1.93   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  18.95 +/- 0.89   0.000% *  0.0226% (0.20   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 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.99, support = 4.72, residual support = 82.3:
    *   T QD1   LEU   98 - HA    LEU   98   2.81 +/- 0.39  78.296% * 94.7593% (1.00 10.00   4.74  83.36) =  98.506%  kept
          QD2   LEU  104 - HA    LEU   98   4.18 +/- 1.11  21.690% *  5.1863% (0.31  1.00   3.55   9.31) =   1.494%  kept
          QG2   ILE   19 - HA    LEU   98  14.30 +/- 0.81   0.006% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  13.68 +/- 0.86   0.008% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 82.9:
    *   T QD2   LEU   98 - HA    LEU   98   3.96 +/- 0.17  88.953% * 93.2374% (1.00 10.00   4.39  83.36) =  99.279%  kept
          QG2   VAL   41 - HA    LEU   98   5.97 +/- 0.79  10.391% *  5.7919% (0.95  1.00   1.31  24.34) =   0.720%  kept
        T QD1   LEU   80 - HA    LEU   98  15.50 +/- 1.44   0.028% *  0.9324% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98   9.35 +/- 0.90   0.628% *  0.0383% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 83.4:
    * O T HA    LEU   98 - QB    LEU   98   2.18 +/- 0.06 100.000% *100.0000% (0.87  10.0 10.00   4.97  83.36) = 100.000%  kept
    Distance limit 3.16 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 = 3.76, residual support = 83.4:
    * O T QD1   LEU   98 - QB    LEU   98   2.21 +/- 0.16  98.407% * 99.3996% (0.87  10.0 10.00   3.76  83.36) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   5.26 +/- 1.01   1.577% *  0.0307% (0.27   1.0  1.00   0.02   9.31) =   0.000%
        T QG2   ILE   19 - QB    LEU   98  11.43 +/- 0.85   0.007% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  10.89 +/- 0.87   0.009% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.864, support = 3.38, residual support = 79.6:
    * O T QD2   LEU   98 - QB    LEU   98   2.04 +/- 0.09  93.194% * 51.1151% (0.87  10.0 10.00   3.44  83.36) =  93.553%  kept
        T QG2   VAL   41 - QB    LEU   98   3.82 +/- 0.92   6.789% * 48.3528% (0.82   1.0 10.00   2.50  24.34) =   6.447%  kept
        T QD1   LEU   80 - QB    LEU   98  12.66 +/- 1.30   0.002% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   8.96 +/- 0.80   0.015% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.74, residual support = 83.4:
    *   T HA    LEU   98 - QD1   LEU   98   2.81 +/- 0.39 100.000% *100.0000% (1.00 10.00   4.74  83.36) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.76, residual support = 83.4:
    * O T QB    LEU   98 - QD1   LEU   98   2.21 +/- 0.16  99.625% * 98.1517% (0.87  10.0 10.00   3.76  83.36) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   6.45 +/- 0.90   0.296% *  0.0224% (0.20   1.0  1.00   0.02   0.76) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  12.37 +/- 1.71   0.005% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.19 +/- 1.29   0.005% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.75 +/- 1.76   0.017% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  11.88 +/- 1.14   0.006% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  12.80 +/- 0.80   0.003% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98  10.44 +/- 1.22   0.017% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  10.69 +/- 1.19   0.012% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.13 +/- 1.15   0.003% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  12.37 +/- 1.17   0.004% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.78 +/- 0.85   0.005% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.52 +/- 1.61   0.000% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  15.34 +/- 1.26   0.001% *  0.0224% (0.20   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 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 = 2.93, residual support = 83.4:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.06  98.090% * 98.8770% (1.00  10.0 10.00   2.93  83.36) =  99.998%  kept
          QG2   VAL   41 - QD1   LEU   98   4.34 +/- 0.69   1.860% *  0.0935% (0.95   1.0  1.00   0.02  24.34) =   0.002%
        T QD1   LEU   80 - QD1   LEU   98  10.85 +/- 1.05   0.005% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   7.82 +/- 1.11   0.045% *  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 = 83.4:
    *   T HA    LEU   98 - QD2   LEU   98   3.96 +/- 0.17  99.967% * 99.4301% (1.00 10.00   4.39  83.36) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  15.50 +/- 1.44   0.033% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.716, support = 3.92, residual support = 83.8:
    * O T QB    LEU   98 - QD2   LEU   98   2.04 +/- 0.09  46.119% * 50.3539% (0.87  10.0 10.00   3.44  83.36) =  67.725%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  38.380% * 16.1964% (0.28  10.0  1.00   4.69  84.77) =  18.128%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.60 +/- 0.41  15.105% * 32.1120% (0.55  10.0 10.00   5.23  84.77) =  14.146%  kept
          HB3   LYS+  74 - QD1   LEU   80   6.69 +/- 1.22   0.056% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.16 +/- 1.15   0.002% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   7.06 +/- 1.51   0.208% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.14 +/- 0.68   0.087% *  0.0115% (0.20   1.0  1.00   0.02   0.76) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  12.66 +/- 1.30   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  10.45 +/- 1.68   0.005% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.10 +/- 2.12   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   8.74 +/- 0.92   0.011% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  11.66 +/- 0.54   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98   9.62 +/- 0.85   0.005% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.26 +/- 1.36   0.002% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  10.81 +/- 1.10   0.003% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  10.04 +/- 1.21   0.004% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  10.47 +/- 1.15   0.003% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.15 +/- 0.84   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.33 +/- 0.81   0.000% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  12.92 +/- 1.55   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.99 +/- 1.50   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  15.25 +/- 1.53   0.000% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.63 +/- 1.22   0.001% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  14.80 +/- 0.86   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.35 +/- 1.79   0.000% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  14.31 +/- 1.63   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  14.80 +/- 2.06   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.35 +/- 2.35   0.000% *  0.0333% (0.57   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 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.93, residual support = 83.4:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.06  99.744% * 98.8641% (1.00  10.0 10.00   2.93  83.36) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.65 +/- 0.97   0.156% *  0.3051% (0.31   1.0 10.00   0.02   9.31) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  10.85 +/- 1.05   0.005% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   7.54 +/- 0.85   0.054% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.43 +/- 0.79   0.013% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.23 +/- 0.78   0.016% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   9.39 +/- 0.82   0.013% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.24 +/- 1.36   0.000% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 172.0:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.31 +/- 0.28  97.031% * 98.7502% (1.00  10.0 10.00   6.44 172.02) =  99.996%  kept
        T HG3   LYS+  38 - HA    LYS+  99   8.59 +/- 1.05   0.511% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    LYS+  99   6.36 +/- 0.40   2.242% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  10.34 +/- 1.28   0.180% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  17.91 +/- 1.25   0.005% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  14.65 +/- 1.41   0.017% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.08 +/- 0.82   0.006% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.91 +/- 1.45   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.91 +/- 1.60   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.62 +/- 1.78   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.599, support = 5.81, residual support = 172.0:
      O T HB3   LYS+  99 - HA    LYS+  99   2.53 +/- 0.23  83.738% * 28.6795% (0.41  10.0 10.00   5.81 172.02) =  68.040%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.72 +/- 0.66  16.171% * 69.7607% (1.00   1.0 10.00   5.82 172.02) =  31.960%  kept
        T QD    LYS+ 106 - HA    LYS+  99  11.79 +/- 1.02   0.009% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.39 +/- 0.83   0.078% *  0.0155% (0.22   1.0  1.00   0.02   1.68) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.64 +/- 1.88   0.002% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.92 +/- 0.99   0.001% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  14.88 +/- 0.79   0.002% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.55 +/- 0.71   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.76 +/- 1.78   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  21.75 +/- 0.78   0.000% *  0.0262% (0.38   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 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 172.0:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.55 +/- 0.31  99.212% * 98.5233% (1.00  10.0 10.00   7.06 172.02) =  99.998%  kept
        T HG2   LYS+  38 - HA    LYS+  99   8.42 +/- 0.75   0.157% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HG    LEU   98 - HA    LYS+  99   6.13 +/- 0.43   0.600% *  0.0219% (0.22   1.0  1.00   0.02  17.15) =   0.000%
          HB2   LEU   31 - HA    LYS+  99  12.38 +/- 1.13   0.011% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.31 +/- 2.32   0.008% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.42 +/- 0.79   0.004% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.90 +/- 0.55   0.003% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  17.84 +/- 1.63   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  16.84 +/- 1.01   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.65 +/- 1.11   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.86 +/- 2.46   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  17.68 +/- 1.01   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 172.0:
    *   T QE    LYS+  99 - HA    LYS+  99   3.81 +/- 0.21  96.671% * 98.3577% (1.00 10.00   5.26 172.02) =  99.983%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.48 +/- 1.00   1.154% *  0.8821% (0.90 10.00   0.02   0.02) =   0.011%
        T QE    LYS+ 102 - HA    LYS+  99   8.68 +/- 0.50   0.761% *  0.6756% (0.69 10.00   0.02   1.68) =   0.005%
          HB2   PHE   97 - HA    LYS+  99   7.83 +/- 0.41   1.395% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  16.03 +/- 0.82   0.019% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 172.0:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.94 +/- 0.19  96.026% * 99.5483% (1.00  10.0 10.00   7.00 172.02) =  99.999%  kept
          HA    LEU   40 - HB2   LYS+  99   5.17 +/- 0.71   3.908% *  0.0248% (0.25   1.0  1.00   0.02  12.70) =   0.001%
          HA    ASN   35 - HB2   LYS+  99  10.78 +/- 1.02   0.051% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  15.32 +/- 2.60   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.12 +/- 1.09   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  22.58 +/- 1.53   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  18.84 +/- 1.32   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.13 +/- 1.43   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.27 +/- 1.08   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.22 +/- 1.73   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 172.0:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.47 +/- 0.17  99.859% * 98.7502% (1.00  10.0 10.00   6.44 172.02) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99  10.21 +/- 1.28   0.035% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   8.39 +/- 0.65   0.092% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.97 +/- 1.39   0.009% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  18.43 +/- 1.59   0.001% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.30 +/- 1.50   0.001% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  18.99 +/- 0.97   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.94 +/- 1.78   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  18.04 +/- 1.60   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.69 +/- 1.89   0.000% *  0.0337% (0.34   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 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.554, support = 4.88, residual support = 172.0:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  88.308% * 29.0322% (0.41  10.0   4.62 172.02) =  75.686%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.54 +/- 0.29  11.663% * 70.6187% (1.00  10.0   5.69 172.02) =  24.314%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.48 +/- 1.27   0.027% *  0.0157% (0.22   1.0   0.02   1.68) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.01 +/- 0.82   0.002% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  15.87 +/- 2.18   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  17.32 +/- 0.89   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.98 +/- 1.05   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.55 +/- 0.81   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.64 +/- 1.84   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  21.69 +/- 1.14   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 172.0:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.98 +/- 0.14  99.372% * 99.3871% (1.00  10.0   7.06 172.02) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   7.32 +/- 0.39   0.499% *  0.0221% (0.22   1.0   0.02  17.15) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.22 +/- 0.88   0.076% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  13.84 +/- 2.64   0.026% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  14.68 +/- 1.23   0.008% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  15.22 +/- 0.97   0.006% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  16.03 +/- 0.91   0.004% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  17.97 +/- 1.87   0.003% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.71 +/- 0.96   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.83 +/- 2.55   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.38 +/- 1.33   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  18.57 +/- 1.19   0.002% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 172.0:
    *     QE    LYS+  99 - HB2   LYS+  99   3.85 +/- 0.35  95.082% * 99.0418% (1.00   5.05 172.02) =  99.988%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.87 +/- 1.08   1.946% *  0.2694% (0.69   0.02   1.68) =   0.006%
          HB2   PHE   97 - HB2   LYS+  99   7.25 +/- 0.52   2.399% *  0.1612% (0.41   0.02   0.02) =   0.004%
          QE    LYS+  38 - HB2   LYS+  99   9.48 +/- 1.19   0.564% *  0.3517% (0.90   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB2   LYS+  99  18.30 +/- 0.98   0.010% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 172.0:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.31 +/- 0.28  75.190% * 97.9094% (1.00  10.0 10.00   6.44 172.02) =  99.994%  kept
          HA    LEU   40 - HG3   LYS+  99   4.95 +/- 0.80   9.180% *  0.0244% (0.25   1.0  1.00   0.02  12.70) =   0.003%
          HA    ASN   35 - HG3   LYS+  38   4.78 +/- 0.98  14.622% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.59 +/- 1.05   0.370% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG3   LYS+  99  10.06 +/- 1.20   0.138% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  15.55 +/- 2.84   0.017% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  17.91 +/- 1.25   0.004% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.32 +/- 0.84   0.422% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  24.11 +/- 1.71   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  16.48 +/- 1.38   0.006% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.38 +/- 1.49   0.006% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  22.74 +/- 1.25   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.13 +/- 1.50   0.002% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  21.06 +/- 1.11   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  19.99 +/- 1.59   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.30 +/- 1.08   0.004% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  18.32 +/- 1.09   0.003% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  17.75 +/- 1.60   0.004% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  14.47 +/- 1.71   0.017% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  24.15 +/- 1.47   0.001% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  22.03 +/- 2.90   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  30.04 +/- 1.39   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.16 +/- 1.86   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.40 +/- 1.19   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  18.77 +/- 2.93   0.005% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  24.32 +/- 0.98   0.001% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.54 +/- 1.68   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.65 +/- 1.25   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  30.50 +/- 1.07   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.23 +/- 1.37   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.855, support = 4.56, residual support = 180.0:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.94 +/- 0.38  32.791% * 89.0505% (1.00  10.0 10.00   4.62 172.02) =  83.990%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.52 +/- 0.39  66.772% *  8.3338% (0.09  10.0 10.00   4.27 221.86) =  16.005%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.05 +/- 1.70   0.136% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HG3   LYS+  99   8.99 +/- 1.42   0.061% *  0.6117% (0.69   1.0 10.00   0.02   1.68) =   0.001%
        T QE    LYS+  99 - HG3   LYS+  38   8.53 +/- 1.74   0.184% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.27 +/- 0.73   0.033% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  14.73 +/- 2.00   0.002% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.17 +/- 1.51   0.009% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  18.84 +/- 1.17   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  12.80 +/- 0.90   0.005% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  13.01 +/- 1.46   0.004% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  22.69 +/- 1.45   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  19.15 +/- 1.06   0.000% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.18 +/- 1.21   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.74 +/- 0.95   0.000% *  0.0042% (0.05   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 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 171.9:
    *   T HA    LYS+  99 - QD    LYS+  99   3.72 +/- 0.66  79.529% * 95.4130% (1.00 10.00   5.82 172.02) =  99.932%  kept
          HA    LEU   40 - QD    LYS+  99   4.88 +/- 1.01  19.684% *  0.2501% (0.25  1.00   0.21  12.70) =   0.065%
        T HA    LYS+  99 - QD    LYS+ 106  11.79 +/- 1.02   0.131% *  0.7682% (0.81 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+  99  12.54 +/- 2.37   0.122% *  0.8276% (0.87 10.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  14.57 +/- 2.00   0.036% *  0.7267% (0.76 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+  99  10.35 +/- 1.27   0.213% *  0.0921% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.50 +/- 1.56   0.013% *  0.6664% (0.70 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  13.11 +/- 1.34   0.077% *  0.0642% (0.67  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  20.66 +/- 1.49   0.004% *  0.9026% (0.95 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  12.97 +/- 1.09   0.070% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.23 +/- 1.54   0.012% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.13 +/- 1.95   0.040% *  0.0192% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.12 +/- 1.35   0.006% *  0.0797% (0.84  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  14.83 +/- 1.33   0.025% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.95 +/- 1.25   0.013% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.60 +/- 1.65   0.013% *  0.0119% (0.12  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.17 +/- 1.11   0.004% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.04 +/- 1.57   0.005% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.35 +/- 1.56   0.003% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  27.24 +/- 1.53   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 172.0:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.49 +/- 0.11  99.243% * 97.4178% (1.00  10.0  1.00   5.85 172.02) =  99.999%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.59 +/- 3.18   0.070% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  38 - QD    LYS+  99   9.13 +/- 1.21   0.064% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   9.19 +/- 1.69   0.094% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.23 +/- 1.98   0.095% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   8.38 +/- 1.49   0.181% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.98 +/- 2.35   0.065% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.45 +/- 1.76   0.047% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.36 +/- 0.53   0.076% *  0.0217% (0.22   1.0  1.00   0.02  17.15) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  10.84 +/- 1.56   0.024% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.16 +/- 0.94   0.005% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.45 +/- 2.33   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  14.62 +/- 1.33   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.84 +/- 1.08   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.34 +/- 1.27   0.016% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  15.78 +/- 2.15   0.003% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.96 +/- 1.81   0.002% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.11 +/- 0.84   0.002% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  17.77 +/- 1.46   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.34 +/- 1.37   0.001% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.19 +/- 1.57   0.002% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.02 +/- 0.78   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.72 +/- 1.22   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  18.07 +/- 0.92   0.001% *  0.0150% (0.15   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 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 172.0:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.26 +/- 0.12  99.584% * 94.6730% (1.00  10.0 10.00   5.27 172.02) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   8.97 +/- 1.33   0.056% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   9.24 +/- 1.69   0.053% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   7.05 +/- 0.86   0.226% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.40 +/- 2.51   0.015% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.78 +/- 1.85   0.021% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.94 +/- 1.02   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.01 +/- 1.57   0.022% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.33 +/- 1.31   0.011% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  16.08 +/- 1.56   0.001% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.62 +/- 1.19   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  18.37 +/- 1.21   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  16.69 +/- 1.45   0.001% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.66 +/- 1.47   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.63 +/- 1.63   0.000% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.16 +/- 1.21   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.19 +/- 1.79   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  18.06 +/- 1.80   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.34 +/- 1.77   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.18 +/- 1.46   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 172.0:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.574% * 96.3213% (1.00  10.0 10.00   4.00 172.02) =  99.999%  kept
        T QE    LYS+  38 - QD    LYS+  99   8.12 +/- 1.39   0.054% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.78 +/- 1.29   0.029% *  0.6616% (0.69   1.0 10.00   0.02   1.68) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.20 +/- 1.64   0.030% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.10 +/- 0.77   0.259% *  0.0319% (0.33   1.0  1.00   0.02   8.68) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  12.19 +/- 1.10   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.67 +/- 0.60   0.050% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.23 +/- 1.28   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.05 +/- 1.68   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.71 +/- 1.24   0.000% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.987, support = 5.21, residual support = 169.4:
    *   T HA    LYS+  99 - QE    LYS+  99   3.81 +/- 0.21  52.890% * 96.0464% (1.00 10.00   5.26 172.02) =  98.336%  kept
          HA    LEU   40 - QE    LYS+  99   4.05 +/- 0.47  38.565% *  2.2129% (0.25  1.00   1.85  12.70) =   1.652%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.68 +/- 0.50   0.403% *  0.6550% (0.68 10.00   0.02   1.68) =   0.005%
        T HA    LYS+  99 - QE    LYS+  38   8.48 +/- 1.00   0.634% *  0.2591% (0.27 10.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QE    LYS+  38   5.88 +/- 0.98   6.175% *  0.0250% (0.26  1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - QE    LYS+  99   9.98 +/- 1.18   0.216% *  0.0927% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  99  11.70 +/- 2.17   0.115% *  0.0833% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.28 +/- 1.48   0.101% *  0.0632% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.50 +/- 0.96   0.670% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.59 +/- 0.53   0.123% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.16 +/- 1.26   0.034% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.46 +/- 1.20   0.003% *  0.0802% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  20.44 +/- 1.40   0.002% *  0.0909% (0.95  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.38 +/- 1.07   0.009% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  20.33 +/- 2.12   0.003% *  0.0568% (0.59  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.86 +/- 1.57   0.002% *  0.0547% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  14.21 +/- 1.74   0.026% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.09 +/- 2.81   0.003% *  0.0225% (0.23  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.32 +/- 1.88   0.001% *  0.0620% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.31 +/- 1.68   0.005% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.50 +/- 0.95   0.003% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  17.78 +/- 2.85   0.010% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.31 +/- 1.44   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  20.48 +/- 1.39   0.002% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.86 +/- 1.15   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.86 +/- 1.38   0.000% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.79 +/- 1.55   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.92 +/- 1.22   0.001% *  0.0065% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  25.77 +/- 1.78   0.001% *  0.0089% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.39 +/- 1.30   0.000% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.457, support = 4.1, residual support = 172.0:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  88.404% * 59.3752% (0.41  10.0 10.00   4.00 172.02) =  92.283%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.33 +/- 0.69  11.456% * 38.3098% (1.00   1.0  1.00   5.31 172.02) =   7.716%  kept
        T QD    LYS+  99 - QE    LYS+ 102   8.78 +/- 1.29   0.024% *  0.4049% (0.28   1.0 10.00   0.02   1.68) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.20 +/- 1.64   0.027% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.12 +/- 1.39   0.044% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.61 +/- 0.98   0.026% *  0.0985% (0.68   1.0  1.00   0.02   1.68) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.19 +/- 1.10   0.003% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.69 +/- 1.43   0.013% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  16.51 +/- 0.99   0.000% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.23 +/- 1.28   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.38 +/- 2.02   0.001% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.65 +/- 1.66   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.52 +/- 0.66   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  19.86 +/- 1.22   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.83 +/- 1.58   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.55 +/- 0.91   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.07 +/- 1.00   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  23.71 +/- 1.40   0.000% *  0.0298% (0.21   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 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.846, support = 4.56, residual support = 180.5:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.94 +/- 0.38  32.444% * 88.1476% (1.00  10.0 10.00   4.62 172.02) =  82.907%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.52 +/- 0.39  66.042% *  8.9252% (0.10  10.0 10.00   4.27 221.86) =  17.088%  kept
        T HG3   LYS+  38 - QE    LYS+  99   8.53 +/- 1.74   0.181% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.002%
          QG2   THR   39 - QE    LYS+  99   5.69 +/- 0.80   0.699% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - QE    LYS+ 102   8.99 +/- 1.42   0.060% *  0.6011% (0.68   1.0 10.00   0.02   1.68) =   0.001%
        T HG3   LYS+  99 - QE    LYS+  38   8.05 +/- 1.70   0.133% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - QE    LYS+  38   7.31 +/- 1.10   0.373% *  0.0154% (0.17   1.0  1.00   0.02  23.16) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.82 +/- 1.16   0.026% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.17 +/- 1.51   0.009% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  14.73 +/- 2.00   0.002% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.44 +/- 1.51   0.015% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.26 +/- 0.76   0.006% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.32 +/- 1.39   0.003% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  18.84 +/- 1.17   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  16.77 +/- 1.13   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  16.67 +/- 1.40   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.86 +/- 2.04   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  15.88 +/- 1.41   0.002% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  19.45 +/- 1.71   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.57 +/- 1.51   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.15 +/- 1.35   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  16.64 +/- 1.41   0.001% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.69 +/- 1.45   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  18.23 +/- 1.96   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  21.01 +/- 0.90   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.78 +/- 1.70   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.27 +/- 2.11   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.97 +/- 1.47   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  22.59 +/- 1.42   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.18 +/- 1.71   0.000% *  0.0081% (0.09   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 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.99 +/- 0.10  96.019% * 99.1823% (1.00  10.0 10.00   4.26  75.74) =  99.998%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.67 +/- 1.20   3.695% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  10.96 +/- 0.57   0.041% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.53 +/- 1.36   0.071% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   8.81 +/- 0.41   0.158% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  26.02 +/- 0.94   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  13.37 +/- 0.95   0.013% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  21.61 +/- 1.33   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.34 +/- 1.18   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.90 +/- 0.83   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.40 +/- 1.12   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  27.42 +/- 1.34   0.000% *  0.0059% (0.06   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 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.49 +/- 0.20  91.554% * 99.2716% (1.00  10.0 10.00   4.26  75.74) =  99.994%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.56 +/- 1.34   8.381% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - HA    GLU- 100  12.84 +/- 1.41   0.008% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.06 +/- 1.43   0.004% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  13.03 +/- 2.02   0.007% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  16.60 +/- 1.81   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.63 +/- 0.87   0.011% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.57 +/- 0.70   0.006% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  10.91 +/- 1.73   0.022% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.62 +/- 1.52   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.81 +/- 0.52   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  17.75 +/- 1.67   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  22.80 +/- 0.62   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.51 +/- 1.25   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.04 +/- 1.80   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  16.44 +/- 1.23   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  32.46 +/- 0.79   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.27 +/- 1.58   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.21 +/- 0.82   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.61 +/- 0.72   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.46 +/- 1.95   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  33.65 +/- 0.77   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.88 +/- 0.33  73.755% * 99.4988% (1.00  10.0 10.00   4.72  75.74) =  99.979%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.10 +/- 1.56  26.171% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.021%
          HB2   MET   96 - HA    GLU- 100  12.35 +/- 0.54   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  11.70 +/- 0.88   0.018% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.22 +/- 0.51   0.004% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  15.63 +/- 1.50   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.65 +/- 1.38   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  22.99 +/- 0.92   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.10 +/- 0.59   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  12.09 +/- 0.50   0.015% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.99 +/- 0.47   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.13 +/- 1.28   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  14.56 +/- 1.23   0.005% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.93 +/- 1.06   0.001% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.99 +/- 0.75   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  23.10 +/- 0.73   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  19.93 +/- 0.52   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.78 +/- 1.04   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.99 +/- 0.10  96.294% * 98.6741% (1.00  10.0 10.00   4.26  75.74) =  99.991%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.67 +/- 1.20   3.705% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.009%
        T HD2   PRO   58 - HB2   GLU- 100  28.32 +/- 0.84   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  21.53 +/- 2.07   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  29.12 +/- 1.00   0.000% *  0.0406% (0.41   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 1199 (2.37, 2.37, 29.04 ppm):
    1 diagonal assignment:
    *     HB2   GLU- 100 - HB2   GLU- 100  (1.00)  kept
 
    Peak 1200 (2.04, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.74) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.43 +/- 1.45   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.64 +/- 1.43   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  14.66 +/- 2.14   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.32 +/- 1.99   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.80 +/- 1.47   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  21.19 +/- 0.90   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  19.59 +/- 1.63   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  23.59 +/- 0.95   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.02 +/- 1.70   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  33.51 +/- 0.80   0.000% *  0.0796% (0.80   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 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.00 +/- 0.10  99.957% * 99.5837% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.58 +/- 0.65   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.88 +/- 0.76   0.007% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  12.98 +/- 0.90   0.017% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  17.28 +/- 1.46   0.003% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  19.21 +/- 1.50   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  25.01 +/- 0.80   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.63 +/- 1.42   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.84 +/- 1.24   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.49 +/- 0.20  91.614% * 99.5406% (1.00  10.0 10.00   4.26  75.74) =  99.980%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.56 +/- 1.34   8.385% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.020%
          HA    VAL   83 - HB3   GLU- 100  21.60 +/- 1.78   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.75 +/- 1.18   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.52 +/- 1.22   0.000% *  0.0409% (0.41   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 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 99.6840% (1.00  10.0 10.00   2.00  75.74) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  12.05 +/- 0.80   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.70 +/- 1.58   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  23.39 +/- 1.37   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.16 +/- 1.38   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  27.40 +/- 1.14   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.43 +/- 0.11  99.989% * 99.0882% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.04 +/- 0.93   0.005% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  16.93 +/- 1.68   0.001% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.04 +/- 0.59   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.91 +/- 0.65   0.001% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.45 +/- 1.58   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  24.97 +/- 1.06   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.02 +/- 1.48   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.49 +/- 0.94   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.72, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.88 +/- 0.33  73.815% * 99.5406% (1.00  10.0 10.00   4.72  75.74) =  99.921%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.10 +/- 1.56  26.184% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.079%
          HA    VAL   83 - HG2   GLU- 100  22.04 +/- 1.64   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.98 +/- 1.19   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  29.02 +/- 1.06   0.000% *  0.0409% (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 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.00 +/- 0.10  99.934% * 99.6840% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.77 +/- 1.07   0.033% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  12.02 +/- 1.56   0.032% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.17 +/- 1.47   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.55 +/- 1.53   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.43 +/- 1.23   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.43 +/- 0.11  99.983% * 98.4783% (1.00  10.0 10.00   3.24  75.74) = 100.000%  kept
        T QB    GLU-  15 - HG2   GLU- 100  12.64 +/- 2.20   0.008% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  15.77 +/- 1.98   0.002% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  14.51 +/- 1.56   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  17.82 +/- 1.88   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.49 +/- 1.50   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.61 +/- 1.84   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.25 +/- 0.84   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  23.98 +/- 1.03   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  26.80 +/- 2.06   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  33.44 +/- 0.91   0.000% *  0.0789% (0.80   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 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  18.92 +/- 1.41   0.000% *  0.0375% (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 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  99.991% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101   9.95 +/- 1.96   0.007% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.68 +/- 2.62   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.75 +/- 2.55   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  21.73 +/- 1.58   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.26 +/- 1.10   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  21.29 +/- 2.44   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  30.63 +/- 1.13   0.000% *  0.0277% (0.28   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 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 = 159.4:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.40 +/- 0.09  98.359% * 99.0531% (1.00  10.0 10.00   6.31 159.43) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.90 +/- 0.43   1.576% *  0.0338% (0.34   1.0  1.00   0.02  22.41) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.63 +/- 1.06   0.062% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  14.87 +/- 1.06   0.002% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.65 +/- 1.03   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  20.60 +/- 0.56   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  20.83 +/- 0.78   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  21.82 +/- 1.41   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  22.14 +/- 1.68   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.77 +/- 1.28   0.000% *  0.0153% (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 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.4:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.21 +/- 0.38  99.811% * 99.3298% (1.00  10.0 10.00   5.75 159.43) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102   9.85 +/- 0.88   0.143% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  15.96 +/- 1.25   0.009% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.60 +/- 1.22   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.54 +/- 2.38   0.006% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.87 +/- 1.46   0.002% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  20.47 +/- 1.11   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  19.34 +/- 0.93   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.35 +/- 1.17   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  18.36 +/- 2.17   0.005% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.48 +/- 1.59   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.46 +/- 1.47   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.94 +/- 1.03   0.001% *  0.0248% (0.25   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 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.03, residual support = 158.4:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.91 +/- 0.78  75.986% * 94.6774% (1.00  10.0 10.00   5.05 159.43) =  99.334%  kept
          QB    LEU   98 - HA    LYS+ 102   3.95 +/- 0.60  22.573% *  2.1307% (0.34   1.0  1.00   1.32   2.24) =   0.664%  kept
        T HG3   LYS+ 106 - HA    LYS+ 102   9.61 +/- 0.67   0.104% *  0.8956% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   6.47 +/- 0.85   1.298% *  0.0263% (0.28   1.0  1.00   0.02   2.24) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 102  15.46 +/- 1.45   0.005% *  0.8956% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  12.17 +/- 0.62   0.022% *  0.0928% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  23.24 +/- 0.95   0.000% *  0.9280% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.93 +/- 1.33   0.003% *  0.0945% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  16.34 +/- 1.27   0.004% *  0.0355% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.85 +/- 2.09   0.002% *  0.0187% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.74 +/- 0.70   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  23.89 +/- 2.27   0.000% *  0.0574% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.75 +/- 0.75   0.000% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  20.60 +/- 0.82   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 159.4:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.93 +/- 0.71  99.045% * 98.2489% (1.00 10.00   5.05 159.43) = 100.000%  kept
          QD    LYS+  38 - HA    LYS+ 102   9.66 +/- 1.31   0.157% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 102   8.01 +/- 0.62   0.513% *  0.0219% (0.22  1.00   0.02   1.68) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.78 +/- 1.36   0.260% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  21.92 +/- 0.91   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.38 +/- 1.81   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.71 +/- 1.34   0.009% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  17.07 +/- 1.47   0.006% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  17.50 +/- 1.10   0.005% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.09 +/- 1.59   0.002% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.00 +/- 1.15   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.81 +/- 1.12   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.4:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.14 +/- 0.31  99.723% * 98.4155% (1.00 10.00   5.05 159.43) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.24 +/- 0.55   0.194% *  0.6760% (0.69 10.00   0.02   1.68) =   0.001%
        T QE    LYS+  38 - HA    LYS+ 102  10.92 +/- 1.15   0.082% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.4:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.09  99.929% * 99.1785% (1.00  10.0 10.00   6.31 159.43) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.63 +/- 1.06   0.063% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.60 +/- 0.99   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.44 +/- 0.92   0.004% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.45 +/- 1.10   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.40 +/- 0.79   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  21.06 +/- 1.06   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.65 +/- 0.80   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  25.22 +/- 0.80   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.55 +/- 0.68   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.45 +/- 0.83   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.94 +/- 0.63   0.000% *  0.0288% (0.29   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 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.4:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.31 +/- 0.13  99.219% * 96.6607% (1.00  10.0 10.00   5.31 159.43) = 100.000%  kept
          HG    LEU   40 - HB    VAL   41   5.89 +/- 0.85   0.540% *  0.0348% (0.36   1.0  1.00   0.02  19.69) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.60 +/- 1.25   0.014% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.03 +/- 2.01   0.018% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.06 +/- 1.42   0.062% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB    VAL   41   8.34 +/- 1.11   0.069% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  16.27 +/- 2.60   0.002% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41   9.91 +/- 1.31   0.022% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  14.85 +/- 1.09   0.002% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  18.08 +/- 1.40   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41   9.98 +/- 2.20   0.038% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  15.85 +/- 1.11   0.001% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.45 +/- 1.44   0.001% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  13.86 +/- 1.00   0.002% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.24 +/- 1.59   0.003% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.17 +/- 1.16   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.69 +/- 0.98   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.10 +/- 0.86   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.85 +/- 1.44   0.001% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  18.22 +/- 1.15   0.000% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  17.69 +/- 1.90   0.001% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.23 +/- 1.38   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.16 +/- 1.13   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.89 +/- 1.02   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.56 +/- 0.92   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  19.60 +/- 1.04   0.000% *  0.0108% (0.11   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 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.96, support = 4.66, residual support = 153.0:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.18  68.216% * 81.1240% (1.00  10.0 10.00   4.75 159.43) =  95.227%  kept
        T QB    LEU   98 - HB    VAL   41   3.48 +/- 1.05  22.290% * 12.4339% (0.15   1.0 10.00   2.96  24.34) =   4.769%  kept
        T HB    VAL   42 - HB    VAL   41   6.24 +/- 0.35   0.231% *  0.3573% (0.44   1.0 10.00   0.02  25.02) =   0.001%
          HG    LEU   98 - HB    VAL   41   4.20 +/- 0.95   7.826% *  0.0101% (0.12   1.0  1.00   0.02  24.34) =   0.001%
          QB    LEU   98 - QB    LYS+ 102   4.95 +/- 0.55   1.198% *  0.0277% (0.34   1.0  1.00   0.02   2.24) =   0.001%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.01 +/- 0.81   0.030% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   8.99 +/- 0.89   0.038% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  11.76 +/- 0.93   0.006% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.67 +/- 1.29   0.011% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.32 +/- 0.67   0.100% *  0.0226% (0.28   1.0  1.00   0.02   2.24) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.57 +/- 1.15   0.006% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   9.08 +/- 1.05   0.036% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.00 +/- 1.40   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  16.11 +/- 1.06   0.001% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.57 +/- 1.19   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.16 +/- 0.95   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  16.72 +/- 1.18   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.98 +/- 1.08   0.001% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  14.21 +/- 0.95   0.002% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  24.40 +/- 1.00   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  16.32 +/- 2.17   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.02 +/- 0.79   0.003% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.76 +/- 1.76   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  16.68 +/- 2.01   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.38 +/- 0.79   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  21.95 +/- 2.35   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  18.07 +/- 0.71   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.92 +/- 0.74   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.4:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.25 +/- 0.32  99.007% * 94.6216% (1.00  10.0 10.00   4.75 159.43) =  99.998%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.48 +/- 1.71   0.146% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+  38 - HB    VAL   41   9.53 +/- 1.11   0.041% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.43 +/- 1.35   0.578% *  0.0211% (0.22   1.0  1.00   0.02   1.68) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.33 +/- 1.15   0.020% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.39 +/- 1.06   0.118% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.14 +/- 1.33   0.038% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   9.69 +/- 0.95   0.032% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  15.49 +/- 1.09   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  20.41 +/- 1.25   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.77 +/- 1.70   0.000% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.94 +/- 2.02   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  13.89 +/- 1.29   0.003% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.30 +/- 1.04   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.94 +/- 0.81   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  13.58 +/- 1.34   0.003% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.78 +/- 1.67   0.007% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  18.44 +/- 1.67   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.56 +/- 1.36   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.07 +/- 1.25   0.001% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.88 +/- 1.67   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  17.23 +/- 0.99   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.38 +/- 1.24   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  20.32 +/- 0.76   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.4:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.71 +/- 0.50  99.157% * 97.2926% (1.00 10.00   4.75 159.43) =  99.995%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.77 +/- 1.32   0.383% *  0.6683% (0.69 10.00   0.02   1.68) =   0.003%
        T QE    LYS+  38 - QB    LYS+ 102   9.57 +/- 1.65   0.089% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   8.03 +/- 0.67   0.248% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.32 +/- 1.21   0.085% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  10.75 +/- 0.90   0.038% *  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 = 159.4:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.21 +/- 0.38  99.997% * 99.7392% (1.00  10.0 10.00   5.75 159.43) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  23.04 +/- 1.49   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.74 +/- 1.76   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.46 +/- 1.10   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  29.11 +/- 1.54   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.63 +/- 1.62   0.000% *  0.0645% (0.65   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 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.4:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.31 +/- 0.13  99.771% * 98.4503% (1.00  10.0 10.00   5.31 159.43) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.35 +/- 1.02   0.212% *  0.0336% (0.34   1.0  1.00   0.02  22.41) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  10.60 +/- 1.25   0.014% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.91 +/- 1.99   0.000% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  16.18 +/- 1.49   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.06 +/- 1.48   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  22.68 +/- 1.42   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  23.25 +/- 1.82   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  23.00 +/- 2.41   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.74 +/- 2.08   0.000% *  0.0152% (0.15   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 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 = 4.41, residual support = 159.4:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.918% * 96.7067% (1.00  10.0 10.00   4.41 159.43) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.25 +/- 1.76   0.003% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.12 +/- 0.80   0.070% *  0.0330% (0.34   1.0  1.00   0.02   2.24) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.86 +/- 1.08   0.008% *  0.0269% (0.28   1.0  1.00   0.02   2.24) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.64 +/- 1.98   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.02 +/- 1.25   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  24.97 +/- 1.84   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.00 +/- 1.28   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  18.26 +/- 1.57   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  19.18 +/- 2.65   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  24.61 +/- 2.73   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.70 +/- 1.49   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.16 +/- 1.62   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.75 +/- 1.09   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 = 4.41, residual support = 159.4:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.07  99.805% * 98.2489% (1.00  10.0 10.00   4.41 159.43) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   9.31 +/- 2.19   0.045% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   8.12 +/- 1.71   0.137% *  0.0219% (0.22   1.0  1.00   0.02   1.68) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.22 +/- 1.81   0.011% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.64 +/- 2.20   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  16.76 +/- 1.99   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.43 +/- 1.41   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.40 +/- 1.39   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.81 +/- 2.33   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  19.56 +/- 1.24   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  23.90 +/- 1.58   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.76 +/- 1.87   0.000% *  0.0556% (0.57   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 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.4:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.17 +/- 0.27  99.559% * 98.4155% (1.00  10.0 10.00   4.41 159.43) =  99.997%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.55 +/- 1.55   0.258% *  0.6760% (0.69   1.0 10.00   0.02   1.68) =   0.002%
        T QE    LYS+  38 - HG2   LYS+ 102  10.48 +/- 2.09   0.182% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 4.68 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 = 159.4:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.91 +/- 0.78  99.465% * 97.9004% (1.00  10.0 10.00   5.05 159.43) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.61 +/- 0.67   0.193% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  15.46 +/- 1.45   0.008% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  11.02 +/- 1.97   0.166% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  11.99 +/- 1.17   0.059% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  15.11 +/- 1.89   0.016% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  23.24 +/- 0.95   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.11 +/- 0.35   0.042% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  15.52 +/- 1.74   0.008% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.02 +/- 0.91   0.028% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  19.33 +/- 1.92   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.63 +/- 1.42   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.99 +/- 1.94   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.45 +/- 1.59   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  21.35 +/- 1.33   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.86 +/- 1.28   0.002% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.46 +/- 1.33   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  29.03 +/- 1.19   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  23.84 +/- 1.19   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.50 +/- 1.27   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.64 +/- 0.88   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  20.56 +/- 1.22   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  30.25 +/- 1.15   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.96 +/- 1.32   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.895, support = 5.18, residual support = 161.1:
      O   QB    LYS+  65 - HG3   LYS+  65   2.27 +/- 0.13  56.986% * 43.4551% (0.80  10.0  1.00   5.58 162.61) =  51.905%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.40 +/- 0.18  42.120% * 54.4770% (1.00  10.0 10.00   4.75 159.43) =  48.095%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.16 +/- 0.52   0.169% *  0.0305% (0.56   1.0  1.00   0.02  25.22) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   7.58 +/- 1.67   0.095% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   8.99 +/- 0.89   0.018% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.67 +/- 1.29   0.007% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.01 +/- 0.81   0.017% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.75 +/- 1.05   0.459% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.21 +/- 0.81   0.073% *  0.0186% (0.34   1.0  1.00   0.02  22.41) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   9.51 +/- 2.18   0.038% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.00 +/- 1.40   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.57 +/- 1.15   0.004% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  16.11 +/- 1.06   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.65 +/- 1.47   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.57 +/- 1.19   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  12.54 +/- 1.52   0.003% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  12.10 +/- 0.73   0.003% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.40 +/- 1.49   0.000% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.91 +/- 2.08   0.002% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.42 +/- 1.54   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.23 +/- 1.44   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.34 +/- 1.61   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  20.08 +/- 1.46   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.72 +/- 1.25   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.89 +/- 1.03   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.08 +/- 1.47   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.20 +/- 0.94   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  17.20 +/- 1.23   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  22.64 +/- 1.20   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  19.94 +/- 1.05   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  23.43 +/- 1.68   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.71 +/- 1.53   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.00 +/- 1.32   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  26.75 +/- 0.96   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.26 +/- 2.09   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.88 +/- 1.66   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.38 +/- 1.37   0.000% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.26 +/- 2.30   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.66 +/- 1.59   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.94 +/- 1.68   0.000% *  0.0042% (0.08   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 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.4:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  91.963% * 96.9231% (1.00  10.0 10.00   4.41 159.43) =  99.996%  kept
          QB    ALA   61 - HG3   LYS+  65   3.57 +/- 1.36   7.760% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.004%
          QG    LYS+  66 - HG3   LYS+  65   6.56 +/- 1.46   0.193% *  0.0684% (0.71   1.0  1.00   0.02  25.22) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   8.38 +/- 1.39   0.014% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   8.54 +/- 0.91   0.010% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.25 +/- 1.76   0.003% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   7.59 +/- 1.39   0.034% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.16 +/- 1.24   0.007% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.30 +/- 1.31   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.64 +/- 1.98   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.56 +/- 1.16   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.46 +/- 1.58   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.42 +/- 1.51   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  11.30 +/- 0.70   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.90 +/- 1.14   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.80 +/- 1.46   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.07 +/- 1.87   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.44 +/- 1.32   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  14.95 +/- 2.22   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.09 +/- 2.38   0.001% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  24.97 +/- 1.84   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  14.80 +/- 2.14   0.001% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.86 +/- 1.21   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  18.00 +/- 1.62   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  11.90 +/- 1.59   0.002% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.54 +/- 1.72   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  19.21 +/- 2.69   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.47 +/- 3.07   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.31 +/- 1.48   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.26 +/- 1.01   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.48 +/- 1.68   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  17.50 +/- 2.15   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.06 +/- 1.21   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.65 +/- 1.46   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.21 +/- 1.48   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.30 +/- 1.61   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  16.54 +/- 1.45   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.11 +/- 1.21   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.56 +/- 0.85   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  22.13 +/- 1.59   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  18.20 +/- 1.41   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.02 +/- 1.01   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  20.14 +/- 2.59   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.87 +/- 1.90   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  21.58 +/- 1.99   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.29 +/- 2.11   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.52 +/- 1.43   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.72 +/- 1.50   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  21.99 +/- 1.44   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  19.81 +/- 1.88   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.90 +/- 0.89   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  26.92 +/- 1.19   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 = 0.792, support = 4.11, residual support = 159.7:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.09  30.322% * 63.6907% (1.00  10.0 10.00   4.00 159.43) =  64.005%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.45 +/- 0.11  33.452% * 29.3443% (0.46  10.0 10.00   4.28 162.61) =  32.533%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.17  36.089% *  2.8935% (0.05  10.0  1.00   4.63 136.21) =   3.461%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.62 +/- 1.30   0.014% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.11 +/- 1.25   0.010% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102   9.67 +/- 2.11   0.019% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.45 +/- 1.58   0.047% *  0.0142% (0.22   1.0  1.00   0.02   1.68) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  12.60 +/- 1.41   0.002% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.31 +/- 0.96   0.007% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  15.95 +/- 1.37   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.10 +/- 1.90   0.001% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.99 +/- 1.35   0.015% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  11.11 +/- 1.59   0.005% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  17.63 +/- 1.96   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  19.56 +/- 1.47   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.53 +/- 1.71   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.03 +/- 1.38   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.84 +/- 1.37   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  18.59 +/- 1.74   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  16.90 +/- 1.66   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  15.48 +/- 1.26   0.001% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  23.53 +/- 1.05   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.64 +/- 1.83   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  13.46 +/- 0.96   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  17.56 +/- 1.36   0.000% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.80 +/- 0.54   0.005% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.93 +/- 1.60   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.76 +/- 1.48   0.001% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.62 +/- 1.44   0.001% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.15 +/- 1.92   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.10 +/- 1.39   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.43 +/- 1.36   0.000% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  19.26 +/- 1.22   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  18.26 +/- 1.89   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.64 +/- 1.60   0.001% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  19.20 +/- 1.42   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  22.07 +/- 2.09   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.44 +/- 0.87   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.60 +/- 1.19   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.76 +/- 1.14   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  23.86 +/- 1.46   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.66 +/- 1.60   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  32.12 +/- 1.59   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.33 +/- 1.81   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.13 +/- 1.72   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.92 +/- 2.19   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  27.15 +/- 0.86   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  27.41 +/- 1.11   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 = 159.4:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.22 +/- 0.15  99.888% * 94.7812% (1.00  10.0 10.00   4.00 159.43) = 100.000%  kept
        T QE    LYS+  38 - HG3   LYS+ 102  10.78 +/- 1.98   0.017% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 102   9.88 +/- 1.38   0.019% *  0.6511% (0.69   1.0 10.00   0.02   1.68) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.45 +/- 1.34   0.055% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.65 +/- 1.17   0.010% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.72 +/- 1.45   0.003% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.78 +/- 0.89   0.005% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.04 +/- 1.81   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.57 +/- 1.27   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.48 +/- 1.52   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  22.92 +/- 0.96   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.76 +/- 0.91   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 159.4:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.93 +/- 0.71  98.894% * 99.0980% (1.00 10.00   5.05 159.43) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.41 +/- 1.46   0.754% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  10.07 +/- 1.79   0.281% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  13.83 +/- 1.75   0.027% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  21.92 +/- 0.91   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  14.34 +/- 1.74   0.022% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.38 +/- 1.81   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.07 +/- 1.54   0.001% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.66 +/- 1.35   0.002% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  17.61 +/- 1.78   0.005% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  17.30 +/- 1.27   0.005% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.15 +/- 2.07   0.003% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  21.40 +/- 1.47   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.57 +/- 1.09   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.82 +/- 1.59   0.000% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.85 +/- 1.73   0.000% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  29.73 +/- 0.86   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  27.77 +/- 0.99   0.000% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (1.81, 1.68, 29.29 ppm):
    30 chemical-shift based assignments, quality = 0.813, support = 4.82, residual support = 160.2:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.25 +/- 0.32  42.609% * 77.3438% (1.00  10.0 10.00   4.75 159.43) =  75.102%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.10 +/- 0.13  57.017% * 19.1619% (0.25  10.0 10.00   5.05 162.61) =  24.898%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.31 +/- 0.93   0.185% *  0.0264% (0.34   1.0  1.00   0.02  22.41) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.41 +/- 1.06   0.019% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.33 +/- 1.15   0.005% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.07 +/- 0.41   0.102% *  0.0134% (0.17   1.0  1.00   0.02  25.22) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   8.47 +/- 2.01   0.057% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  19.85 +/- 1.34   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.41 +/- 1.09   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.51 +/- 1.03   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  15.49 +/- 1.09   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  13.43 +/- 1.34   0.001% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.73 +/- 1.05   0.000% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  12.91 +/- 1.37   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.98 +/- 1.10   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.30 +/- 1.04   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.94 +/- 2.02   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.52 +/- 1.57   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  21.27 +/- 1.96   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  12.23 +/- 1.72   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.65 +/- 1.32   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.88 +/- 1.67   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.96 +/- 1.51   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  21.91 +/- 1.41   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  19.04 +/- 1.19   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.45 +/- 1.83   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.30 +/- 1.40   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.21 +/- 1.89   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  27.62 +/- 1.55   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  29.35 +/- 1.54   0.000% *  0.0098% (0.13   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 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.4:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.07  83.256% * 98.4875% (1.00  10.0 10.00   4.41 159.43) =  99.997%  kept
          QB    ALA   61 - QD    LYS+  65   3.69 +/- 0.98  15.030% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - QD    LYS+  65   6.18 +/- 1.13   0.436% *  0.0216% (0.22   1.0  1.00   0.02  25.22) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   5.93 +/- 1.08   1.121% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          HG    LEU   67 - QD    LYS+  65   8.42 +/- 1.42   0.051% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.09 +/- 1.33   0.008% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.82 +/- 1.06   0.025% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.57 +/- 0.59   0.026% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.15 +/- 1.34   0.024% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  12.87 +/- 1.14   0.002% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.63 +/- 1.24   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.84 +/- 1.63   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.92 +/- 2.62   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.12 +/- 1.50   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.80 +/- 1.45   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  11.90 +/- 0.69   0.004% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.92 +/- 0.93   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.61 +/- 1.81   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.74 +/- 1.61   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.43 +/- 1.41   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.64 +/- 2.20   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  16.51 +/- 1.36   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.05 +/- 0.93   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.11 +/- 1.10   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  13.78 +/- 1.55   0.002% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.26 +/- 1.57   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.40 +/- 1.82   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.39 +/- 1.97   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  18.49 +/- 1.70   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  18.86 +/- 1.77   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  16.76 +/- 1.00   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  16.31 +/- 1.81   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  21.03 +/- 1.51   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  22.47 +/- 1.96   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.45 +/- 2.37   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.24 +/- 1.67   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  26.28 +/- 1.52   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.92 +/- 1.84   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  29.31 +/- 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 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.839, support = 4.06, residual support = 160.1:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.49 +/- 0.09  47.294% * 76.0877% (1.00  10.0 10.00   4.00 159.43) =  78.628%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.45 +/- 0.11  51.887% * 18.8507% (0.25  10.0 10.00   4.28 162.61) =  21.372%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.62 +/- 1.30   0.022% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   5.94 +/- 0.92   0.397% *  0.0260% (0.34   1.0  1.00   0.02   2.24) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.44 +/- 0.94   0.229% *  0.0197% (0.26   1.0  1.00   0.02  28.08) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.26 +/- 1.25   0.067% *  0.0212% (0.28   1.0  1.00   0.02   2.24) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.61 +/- 1.14   0.013% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  15.95 +/- 1.37   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.10 +/- 1.90   0.002% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  17.57 +/- 1.11   0.000% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65   9.23 +/- 1.75   0.059% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.27 +/- 0.95   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.35 +/- 0.77   0.006% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  17.63 +/- 1.96   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  12.15 +/- 1.32   0.005% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  18.59 +/- 1.74   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.03 +/- 1.38   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  14.77 +/- 3.07   0.005% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.84 +/- 1.62   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.84 +/- 1.37   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  23.53 +/- 1.05   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.32 +/- 1.05   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.64 +/- 1.83   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.44 +/- 1.49   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  18.03 +/- 1.65   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  26.55 +/- 1.76   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.02 +/- 2.33   0.000% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.73 +/- 1.11   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.03 +/- 1.34   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  16.08 +/- 0.82   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.11 +/- 1.11   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.76 +/- 1.56   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.04 +/- 2.14   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.39 +/- 1.04   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.71 +/- 1.15   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  32.12 +/- 1.59   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.81 +/- 1.18   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.78 +/- 1.49   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.76 +/- 1.83   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.71 +/- 0.84   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  25.05 +/- 1.10   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  33.41 +/- 2.23   0.000% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.4:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.974% * 97.1326% (1.00  10.0 10.00   4.00 159.43) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.76 +/- 1.26   0.015% *  0.6672% (0.69   1.0 10.00   0.02   1.68) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.66 +/- 1.66   0.010% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.71 +/- 0.96   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.38 +/- 1.97   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.83 +/- 1.29   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  21.50 +/- 0.92   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.68 +/- 1.80   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.21 +/- 1.71   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 159.4:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.14 +/- 0.31  99.706% * 98.6090% (1.00 10.00   5.05 159.43) =  99.998%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.24 +/- 0.55   0.194% *  0.6725% (0.68 10.00   0.02   1.68) =   0.001%
        T HA    LYS+ 102 - QE    LYS+  38  10.92 +/- 1.15   0.082% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  19.14 +/- 0.82   0.002% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.79 +/- 2.12   0.001% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.37 +/- 1.38   0.002% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  18.02 +/- 0.75   0.003% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  21.37 +/- 0.82   0.001% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.23 +/- 0.79   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.34 +/- 1.44   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.49 +/- 1.65   0.000% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  24.60 +/- 0.81   0.000% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  28.47 +/- 1.64   0.000% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  28.40 +/- 0.69   0.000% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.49 +/- 0.85   0.002% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.84 +/- 0.85   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.47 +/- 0.88   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.58 +/- 0.96   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 0.998, support = 4.74, residual support = 159.0:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.71 +/- 0.50  95.469% * 91.3213% (1.00 10.00   4.75 159.43) =  99.753%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.12 +/- 0.73   3.424% *  6.2099% (0.34  1.00   3.99  22.41) =   0.243%
        T QB    LYS+ 102 - QE    LYS+  99   7.77 +/- 1.32   0.366% *  0.6228% (0.68 10.00   0.02   1.68) =   0.003%
        T HB    VAL   41 - QE    LYS+  99   8.03 +/- 0.67   0.224% *  0.3031% (0.33 10.00   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+ 102  10.32 +/- 1.21   0.071% *  0.4445% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.57 +/- 1.65   0.083% *  0.2090% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.57 +/- 0.85   0.153% *  0.0601% (0.66  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  10.75 +/- 0.90   0.034% *  0.1018% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.96 +/- 0.62   0.060% *  0.0212% (0.23  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  11.64 +/- 0.99   0.023% *  0.0428% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.06 +/- 1.15   0.039% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  14.20 +/- 0.83   0.007% *  0.0610% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  15.82 +/- 0.97   0.004% *  0.0881% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  14.32 +/- 1.43   0.006% *  0.0303% (0.33  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  13.78 +/- 1.94   0.018% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  19.61 +/- 1.56   0.001% *  0.0843% (0.92  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.51 +/- 1.32   0.001% *  0.0627% (0.69  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  20.35 +/- 0.79   0.001% *  0.0895% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.88 +/- 0.96   0.001% *  0.0575% (0.63  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  13.85 +/- 1.01   0.007% *  0.0071% (0.08  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  18.19 +/- 1.18   0.002% *  0.0144% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  17.41 +/- 1.64   0.002% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  21.91 +/- 1.33   0.001% *  0.0445% (0.49  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.76 +/- 1.26   0.001% *  0.0205% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.39 +/- 1.91   0.001% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.92 +/- 1.64   0.000% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.68 +/- 1.00   0.000% *  0.0193% (0.21  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.39 +/- 2.64   0.001% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  25.28 +/- 1.26   0.000% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.74 +/- 1.60   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.987, support = 4.34, residual support = 155.4:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.17 +/- 0.27  61.716% * 93.6014% (1.00  10.0 10.00   4.41 159.43) =  97.220%  kept
          HG    LEU   40 - QE    LYS+  99   3.77 +/- 1.14  37.596% *  4.3903% (0.55   1.0  1.00   1.72  12.70) =   2.778%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.55 +/- 1.55   0.165% *  0.6383% (0.68   1.0 10.00   0.02   1.68) =   0.002%
        T HG2   LYS+ 102 - QE    LYS+  38  10.48 +/- 2.09   0.104% *  0.2143% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  99  10.40 +/- 1.88   0.106% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   9.57 +/- 1.07   0.098% *  0.0438% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.26 +/- 1.03   0.030% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.46 +/- 1.33   0.063% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.48 +/- 1.44   0.019% *  0.0554% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  14.54 +/- 1.03   0.008% *  0.0626% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.63 +/- 1.17   0.028% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  16.44 +/- 1.62   0.004% *  0.0917% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  15.06 +/- 0.83   0.005% *  0.0336% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.15 +/- 1.94   0.010% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.16 +/- 1.16   0.002% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.90 +/- 2.17   0.002% *  0.0643% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  17.23 +/- 1.07   0.003% *  0.0511% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.64 +/- 1.59   0.001% *  0.0812% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.57 +/- 1.43   0.001% *  0.0750% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  16.33 +/- 1.30   0.004% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.74 +/- 1.34   0.005% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.58 +/- 1.50   0.003% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  18.98 +/- 1.03   0.001% *  0.0492% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.49 +/- 1.75   0.004% *  0.0147% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.05 +/- 1.84   0.002% *  0.0289% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  18.95 +/- 2.20   0.002% *  0.0319% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  18.77 +/- 2.24   0.002% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.35 +/- 1.21   0.002% *  0.0197% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.82 +/- 1.26   0.002% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  19.01 +/- 1.47   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  15.44 +/- 1.42   0.005% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  20.28 +/- 1.33   0.001% *  0.0218% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.91 +/- 1.45   0.001% *  0.0233% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.08 +/- 1.07   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.90 +/- 1.74   0.002% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  25.00 +/- 1.24   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.20 +/- 1.15   0.001% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.22 +/- 1.37   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.91 +/- 1.49   0.000% *  0.0053% (0.06   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 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.4:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.22 +/- 0.15  98.900% * 93.0940% (1.00  10.0 10.00   4.00 159.43) =  99.999%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.45 +/- 1.34   0.052% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    LYS+ 102   5.98 +/- 0.81   0.619% *  0.0318% (0.34   1.0  1.00   0.02   2.24) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.88 +/- 1.38   0.019% *  0.6349% (0.68   1.0 10.00   0.02   1.68) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.78 +/- 1.98   0.017% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.78 +/- 0.89   0.005% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.27 +/- 0.66   0.045% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.94 +/- 0.24   0.115% *  0.0217% (0.23   1.0  1.00   0.02  17.15) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.16 +/- 1.16   0.084% *  0.0259% (0.28   1.0  1.00   0.02   2.24) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.72 +/- 1.45   0.003% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.65 +/- 1.17   0.010% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.04 +/- 1.81   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.20 +/- 2.27   0.062% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.73 +/- 0.52   0.031% *  0.0177% (0.19   1.0  1.00   0.02  17.15) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.57 +/- 1.27   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  13.25 +/- 0.70   0.003% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38   9.65 +/- 0.72   0.018% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  22.92 +/- 0.96   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.76 +/- 0.91   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  14.98 +/- 0.78   0.001% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.36 +/- 1.79   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.42 +/- 1.71   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.46 +/- 0.93   0.002% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.20 +/- 2.20   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.48 +/- 1.52   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.52 +/- 0.89   0.004% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  16.50 +/- 3.00   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.78 +/- 1.59   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.88 +/- 0.76   0.001% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  18.18 +/- 2.25   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  16.68 +/- 3.11   0.002% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  18.22 +/- 0.82   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.97 +/- 1.35   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.92 +/- 1.07   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.24 +/- 0.83   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.12 +/- 2.19   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.60 +/- 0.94   0.000% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  20.56 +/- 1.38   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.91 +/- 1.10   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  20.94 +/- 0.78   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.02 +/- 1.41   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.93 +/- 0.88   0.000% *  0.0088% (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 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.784, support = 3.96, residual support = 169.7:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  32.284% * 72.2175% (1.00  10.0 10.00   4.00 159.43) =  74.046%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.03  33.377% * 13.2369% (0.18  10.0  1.00   3.74 221.86) =  14.031%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.236% * 10.9650% (0.15  10.0 10.00   4.00 172.02) =  11.922%  kept
        T QD    LYS+ 102 - QE    LYS+  99   9.76 +/- 1.26   0.005% *  0.4925% (0.68   1.0 10.00   0.02   1.68) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   6.89 +/- 1.10   0.046% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.20 +/- 1.64   0.010% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.78 +/- 1.29   0.010% *  0.1608% (0.22   1.0 10.00   0.02   1.68) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.12 +/- 1.39   0.019% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.66 +/- 1.66   0.003% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.06 +/- 1.58   0.004% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.19 +/- 1.10   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.41 +/- 1.40   0.003% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.71 +/- 0.96   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  12.67 +/- 1.75   0.001% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.38 +/- 1.97   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  21.50 +/- 0.92   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.68 +/- 1.80   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.49 +/- 1.69   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  16.53 +/- 1.96   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.23 +/- 1.28   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  15.52 +/- 0.66   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.83 +/- 1.29   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  17.83 +/- 1.58   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  20.38 +/- 1.90   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  20.74 +/- 1.78   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.36 +/- 1.81   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.51 +/- 1.28   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.62 +/- 1.02   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.83 +/- 0.78   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.55 +/- 0.91   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  21.31 +/- 2.63   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.94 +/- 1.64   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.21 +/- 1.71   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.57 +/- 1.37   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.43 +/- 0.95   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  27.94 +/- 0.97   0.000% *  0.0094% (0.13   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 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 = 0.589, support = 5.82, residual support = 138.1:
      O T HG12  ILE  103 - HA    ILE  103   2.20 +/- 0.18  83.114% * 16.3310% (0.20  10.0 10.00   5.98 138.11) =  51.184%  kept
    * O T HB    ILE  103 - HA    ILE  103   2.94 +/- 0.06  15.687% * 82.5223% (1.00  10.0 10.00   5.66 138.11) =  48.815%  kept
          QB    LYS+ 106 - HA    ILE  103   6.45 +/- 0.31   0.145% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.07 +/- 0.46   0.084% *  0.0818% (0.99   1.0  1.00   0.02   2.48) =   0.000%
          HB3   LYS+  38 - HA    THR   39   4.75 +/- 0.28   0.937% *  0.0068% (0.08   1.0  1.00   0.02  23.16) =   0.000%
          QB    LYS+  33 - HA    THR   39   9.28 +/- 0.54   0.017% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.80 +/- 0.40   0.001% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.90 +/- 1.48   0.006% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  16.21 +/- 2.47   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.85 +/- 0.91   0.001% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.88 +/- 0.64   0.002% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.93 +/- 0.88   0.001% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.31 +/- 1.66   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.44 +/- 1.17   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  16.06 +/- 0.74   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.21 +/- 0.44   0.002% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  18.59 +/- 1.49   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.25 +/- 1.31   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  19.23 +/- 2.20   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.93 +/- 1.24   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.98 +/- 1.23   0.000% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.48 +/- 0.64   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  28.06 +/- 1.20   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  24.91 +/- 1.24   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  31.00 +/- 0.98   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  30.35 +/- 1.23   0.000% *  0.0112% (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 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.931, support = 5.33, residual support = 138.1:
    * O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.004% * 68.5552% (1.00  10.0 10.00   5.39 138.11) =  87.576%  kept
        T QD1   ILE  103 - HA    ILE  103   3.42 +/- 0.34  23.413% * 30.7355% (0.45   1.0 10.00   4.91 138.11) =  12.422%  kept
          QD2   LEU   40 - HA    ILE  103   5.65 +/- 0.35   1.116% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.27   0.930% *  0.0219% (0.32   1.0  1.00   0.02  24.04) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.69 +/- 0.55   0.419% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.71 +/- 2.57   0.027% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.82 +/- 0.34   0.008% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.73 +/- 1.37   0.050% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.53 +/- 0.72   0.009% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.81 +/- 0.61   0.008% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  13.41 +/- 1.16   0.006% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.28 +/- 1.26   0.005% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.80 +/- 0.96   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.31 +/- 1.08   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.81 +/- 1.39   0.003% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  16.53 +/- 0.56   0.002% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.613, support = 5.13, residual support = 138.1:
    *   T QD1   ILE  103 - HA    ILE  103   3.42 +/- 0.34  23.415% * 78.2519% (0.92   1.0 10.00   4.91 138.11) =  53.943%  kept
      O T QG2   ILE  103 - HA    ILE  103   2.76 +/- 0.12  74.009% * 21.1374% (0.25  10.0 10.00   5.39 138.11) =  46.056%  kept
          QD2   LEU   40 - HA    ILE  103   5.65 +/- 0.35   1.116% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   6.69 +/- 0.55   0.419% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.27   0.930% *  0.0043% (0.05   1.0  1.00   0.02  24.04) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.53 +/- 0.72   0.009% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.81 +/- 0.61   0.008% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.82 +/- 0.34   0.008% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.71 +/- 2.57   0.027% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.28 +/- 1.26   0.005% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.73 +/- 1.37   0.050% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.81 +/- 1.39   0.003% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.80 +/- 0.96   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.31 +/- 1.08   0.001% *  0.0096% (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 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.1:
    * O T HA    ILE  103 - HB    ILE  103   2.94 +/- 0.06  99.960% * 98.6567% (1.00  10.0 10.00   5.66 138.11) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.80 +/- 0.40   0.006% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  12.99 +/- 0.87   0.014% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.46 +/- 1.97   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  14.22 +/- 1.95   0.011% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  18.90 +/- 2.08   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.95 +/- 1.11   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.78 +/- 1.49   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.56 +/- 1.18   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  25.92 +/- 0.93   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.76 +/- 1.90   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.99 +/- 1.68   0.000% *  0.0305% (0.31   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 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 = 0.835, support = 4.94, residual support = 138.1:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  51.117% * 68.8462% (1.00  10.0 10.00   5.03 138.11) =  70.001%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.15 +/- 0.14  48.862% * 30.8659% (0.45  10.0 10.00   4.71 138.11) =  29.999%  kept
          QD2   LEU   40 - HB    ILE  103   8.07 +/- 0.35   0.018% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.84 +/- 2.54   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.91 +/- 0.72   0.000% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  14.73 +/- 1.34   0.001% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.96 +/- 1.22   0.000% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.55 +/- 1.01   0.000% *  0.0675% (0.98   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 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.775, support = 4.78, residual support = 138.1:
    * O T QD1   ILE  103 - HB    ILE  103   2.15 +/- 0.14  48.863% * 78.5650% (0.92  10.0 10.00   4.71 138.11) =  77.968%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  51.117% * 21.2220% (0.25  10.0 10.00   5.03 138.11) =  22.032%  kept
          QD2   LEU   40 - HB    ILE  103   8.07 +/- 0.35   0.018% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.91 +/- 0.72   0.000% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.96 +/- 1.22   0.000% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.84 +/- 2.54   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.55 +/- 1.01   0.000% *  0.0290% (0.34   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 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 138.1:
    * O T HA    ILE  103 - QG2   ILE  103   2.76 +/- 0.12  99.905% * 98.6567% (1.00  10.0 10.00   5.39 138.11) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.82 +/- 0.34   0.010% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.90 +/- 0.69   0.051% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.76 +/- 1.62   0.008% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  12.43 +/- 1.59   0.016% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.20 +/- 1.74   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.97 +/- 1.20   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.07 +/- 0.86   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.89 +/- 0.97   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.75 +/- 0.70   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  28.49 +/- 1.48   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.12 +/- 1.39   0.000% *  0.0305% (0.31   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 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.98, support = 5.04, residual support = 138.1:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  84.437% * 82.9317% (1.00  10.0 10.00   5.03 138.11) =  97.464%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.02 +/- 0.20  11.081% * 16.4121% (0.20  10.0 10.00   5.31 138.11) =   2.531%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.69 +/- 0.44   4.089% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.29 +/- 0.35   0.386% *  0.0822% (0.99   1.0  1.00   0.02   2.48) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  14.97 +/- 2.19   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.79 +/- 1.62   0.001% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.60 +/- 0.73   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  15.98 +/- 1.11   0.001% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.38 +/- 0.55   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.17 +/- 1.33   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.70 +/- 1.19   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.81 +/- 1.11   0.000% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.79 +/- 1.28   0.000% *  0.0827% (1.00   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 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.91, residual support = 138.1:
    *   T HA    ILE  103 - QD1   ILE  103   3.42 +/- 0.34  99.137% * 98.6567% (0.92 10.00   4.91 138.11) =  99.999%  kept
        T HA    THR   39 - QD1   ILE  103  12.53 +/- 0.72   0.043% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QD1   ILE  103   9.67 +/- 0.89   0.284% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  11.82 +/- 1.68   0.119% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.91 +/- 1.64   0.360% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  13.98 +/- 1.81   0.033% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.17 +/- 0.97   0.008% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.37 +/- 1.45   0.011% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.90 +/- 0.95   0.002% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.01 +/- 0.83   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.64 +/- 1.60   0.000% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.29 +/- 1.32   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.803, support = 4.7, residual support = 138.1:
    * O T HB    ILE  103 - QD1   ILE  103   2.15 +/- 0.14  49.837% * 82.9317% (0.92  10.0 10.00   4.71 138.11) =  83.732%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  48.921% * 16.4121% (0.18  10.0 10.00   4.63 138.11) =  16.266%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.00 +/- 0.95   1.210% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - QD1   ILE  103   7.91 +/- 0.74   0.027% *  0.0822% (0.91   1.0  1.00   0.02   2.48) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  12.86 +/- 1.06   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  13.79 +/- 1.65   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  14.20 +/- 1.11   0.001% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  16.09 +/- 1.92   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  12.80 +/- 1.11   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  16.17 +/- 1.49   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.81 +/- 1.10   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  18.22 +/- 1.14   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.26 +/- 1.24   0.000% *  0.0827% (0.92   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 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 = 216.5:
    * O T HB2   LEU  104 - HA    LEU  104   3.01 +/- 0.02  99.920% * 99.7433% (0.87  10.0 10.00   5.98 216.51) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.43 +/- 0.45   0.060% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  14.12 +/- 1.17   0.011% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.46 +/- 1.05   0.009% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.92 +/- 0.95   0.001% *  0.0605% (0.52   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 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.5:
    * O T HB3   LEU  104 - HA    LEU  104   2.46 +/- 0.10  99.965% * 99.4463% (0.76  10.0 10.00   5.31 216.51) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.35 +/- 0.98   0.022% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  13.57 +/- 1.49   0.005% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  14.10 +/- 1.00   0.003% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  14.86 +/- 1.02   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  14.26 +/- 0.95   0.003% *  0.0535% (0.41   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 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.87, residual support = 216.5:
    * O T HG    LEU  104 - HA    LEU  104   2.98 +/- 0.42  99.593% * 99.5259% (1.00  10.0 10.00   5.87 216.51) = 100.000%  kept
          HB3   LYS+ 121 - HA    LEU  104   9.32 +/- 1.69   0.262% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  104  10.21 +/- 1.61   0.130% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  16.58 +/- 2.28   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  17.94 +/- 1.88   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.71 +/- 1.33   0.001% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.23 +/- 1.42   0.002% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.44 +/- 0.65   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.08 +/- 1.05   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 216.5:
    *   T QD1   LEU  104 - HA    LEU  104   3.60 +/- 0.59  99.751% * 98.8828% (0.96 10.00   5.31 216.51) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  11.30 +/- 0.83   0.137% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  15.48 +/- 1.03   0.022% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  14.75 +/- 1.12   0.030% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  16.28 +/- 1.43   0.018% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.35 +/- 1.04   0.034% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.45 +/- 1.30   0.008% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.7, residual support = 216.5:
    *   T QD2   LEU  104 - HA    LEU  104   2.54 +/- 0.50  98.977% * 98.7440% (1.00 10.00   5.70 216.51) =  99.997%  kept
        T QD1   LEU   98 - HA    LEU  104   6.27 +/- 0.44   0.933% *  0.3048% (0.31 10.00   0.02   9.31) =   0.003%
        T QG1   VAL   41 - HA    LEU  104  10.42 +/- 0.66   0.032% *  0.1954% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.87 +/- 0.60   0.053% *  0.0337% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.53 +/- 0.89   0.002% *  0.5590% (0.56 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.79 +/- 0.89   0.001% *  0.0953% (0.96  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.07 +/- 1.03   0.001% *  0.0678% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 216.5:
    * O T HA    LEU  104 - HB2   LEU  104   3.01 +/- 0.02  99.991% * 99.7454% (0.87  10.0 10.00   5.98 216.51) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  15.85 +/- 2.02   0.006% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  19.32 +/- 1.89   0.002% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  23.05 +/- 1.06   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  28.32 +/- 2.00   0.000% *  0.0647% (0.56   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 1273 (1.04, 1.04, 43.48 ppm):
    1 diagonal assignment:
    *     HB2   LEU  104 - HB2   LEU  104  (0.75)  kept
 
    Peak 1274 (0.86, 1.04, 43.48 ppm):
    6 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 216.5:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.979% * 99.4463% (0.66  10.0 10.00   5.43 216.51) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.93 +/- 0.98   0.016% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  11.54 +/- 1.48   0.002% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  12.23 +/- 1.00   0.001% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  12.71 +/- 1.13   0.001% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.61 +/- 1.00   0.001% *  0.0535% (0.36   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 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 216.5:
    * O T HG    LEU  104 - HB2   LEU  104   2.61 +/- 0.27  99.313% * 99.5259% (0.87  10.0 10.00   6.00 216.51) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.38 +/- 1.62   0.463% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   8.38 +/- 1.83   0.214% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  16.01 +/- 2.17   0.003% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  15.41 +/- 1.82   0.003% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  19.29 +/- 1.41   0.001% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.53 +/- 1.49   0.002% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.31 +/- 1.19   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  18.03 +/- 0.46   0.001% *  0.0197% (0.17   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 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.43, residual support = 216.5:
    * O T QD1   LEU  104 - HB2   LEU  104   2.37 +/- 0.30  99.933% * 98.8828% (0.84  10.0 10.00   5.43 216.51) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   9.28 +/- 0.90   0.050% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  14.06 +/- 1.05   0.004% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  13.33 +/- 1.19   0.006% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  15.69 +/- 1.48   0.002% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.76 +/- 1.13   0.004% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.43 +/- 1.37   0.001% *  0.0820% (0.69   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 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.11, residual support = 216.5:
    * O T QD2   LEU  104 - HB2   LEU  104   2.98 +/- 0.31  97.343% * 99.0156% (0.87  10.0 10.00   6.12 216.51) =  99.999%  kept
          QD1   LEU   98 - HB2   LEU  104   5.74 +/- 0.58   2.282% *  0.0306% (0.27   1.0  1.00   0.02   9.31) =   0.001%
        T QG1   VAL   41 - HB2   LEU  104   8.98 +/- 0.65   0.169% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB2   LEU  104   8.65 +/- 0.61   0.188% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.32 +/- 1.02   0.010% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.97 +/- 0.95   0.005% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.53 +/- 1.15   0.004% *  0.0680% (0.60   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 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 216.5:
    * O T HA    LEU  104 - HB3   LEU  104   2.46 +/- 0.10  99.998% * 99.7454% (0.76  10.0 10.00   5.31 216.51) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  16.93 +/- 1.96   0.001% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.52 +/- 1.83   0.000% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.27 +/- 1.14   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  29.46 +/- 2.12   0.000% *  0.0647% (0.49   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 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.43, residual support = 216.5:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.997% * 99.7433% (0.66  10.0 10.00   5.43 216.51) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.00 +/- 0.52   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  12.89 +/- 1.41   0.001% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  13.07 +/- 1.35   0.001% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.13 +/- 1.06   0.000% *  0.0605% (0.40   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 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 216.5:
    * O T HG    LEU  104 - HB3   LEU  104   2.90 +/- 0.14  98.709% * 99.5259% (0.76  10.0 10.00   5.28 216.51) =  99.999%  kept
          HB3   LYS+ 121 - HB3   LEU  104   7.42 +/- 1.85   0.905% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB3   LEU  104   8.48 +/- 1.73   0.372% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.35 +/- 2.23   0.004% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  16.17 +/- 2.05   0.005% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.87 +/- 1.47   0.001% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.88 +/- 1.44   0.001% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.65 +/- 1.43   0.001% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  19.38 +/- 0.50   0.001% *  0.0197% (0.15   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 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 216.5:
    * O T QD1   LEU  104 - HB3   LEU  104   2.53 +/- 0.36  99.949% * 98.8828% (0.74  10.0 10.00   5.00 216.51) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104  10.33 +/- 0.98   0.037% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  15.43 +/- 1.04   0.002% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  13.83 +/- 1.38   0.005% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  16.96 +/- 1.45   0.002% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.85 +/- 1.16   0.004% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.79 +/- 1.36   0.001% *  0.0820% (0.61   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 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 216.5:
    * O T QD2   LEU  104 - HB3   LEU  104   2.44 +/- 0.36  99.559% * 99.0156% (0.76  10.0 10.00   5.28 216.51) = 100.000%  kept
          QD1   LEU   98 - HB3   LEU  104   6.94 +/- 0.50   0.370% *  0.0306% (0.24   1.0  1.00   0.02   9.31) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104  10.13 +/- 0.62   0.029% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.60 +/- 1.11   0.003% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.03 +/- 0.58   0.037% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  17.21 +/- 0.97   0.001% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.79 +/- 1.16   0.001% *  0.0680% (0.52   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 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.87, residual support = 216.5:
    * O T HA    LEU  104 - HG    LEU  104   2.98 +/- 0.42  99.990% * 99.7454% (1.00  10.0 10.00   5.87 216.51) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  16.07 +/- 1.84   0.007% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  19.26 +/- 1.76   0.002% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  23.04 +/- 1.27   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  28.13 +/- 2.09   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 216.5:
    * O T HB2   LEU  104 - HG    LEU  104   2.61 +/- 0.27  99.975% * 99.7433% (0.87  10.0 10.00   6.00 216.51) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.65 +/- 0.43   0.015% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  14.15 +/- 1.32   0.005% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.74 +/- 1.47   0.005% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.06 +/- 0.94   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 216.5:
    * O T HB3   LEU  104 - HG    LEU  104   2.90 +/- 0.14  99.687% * 99.4463% (0.76  10.0 10.00   5.28 216.51) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  104   8.65 +/- 1.16   0.245% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.85 +/- 0.96   0.026% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  13.20 +/- 1.73   0.015% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  13.38 +/- 1.28   0.013% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  13.36 +/- 1.30   0.014% *  0.0535% (0.41   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 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 216.5:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.989% * 98.8828% (0.97  10.0 10.00   5.28 216.51) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.89 +/- 1.14   0.007% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  14.05 +/- 1.12   0.001% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  15.73 +/- 1.49   0.001% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  15.32 +/- 1.21   0.001% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.63 +/- 1.60   0.000% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.73 +/- 0.95   0.001% *  0.0255% (0.25   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 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.81, residual support = 216.5:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.585% * 99.0156% (1.00  10.0 10.00   5.81 216.51) = 100.000%  kept
          QD1   LEU   98 - HG    LEU  104   5.59 +/- 0.49   0.361% *  0.0306% (0.31   1.0  1.00   0.02   9.31) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   8.37 +/- 0.87   0.034% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.97 +/- 0.50   0.019% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.06 +/- 1.17   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.81 +/- 1.24   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.73 +/- 1.14   0.000% *  0.0680% (0.69   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 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 216.5:
    *   T HA    LEU  104 - QD1   LEU  104   3.60 +/- 0.59  99.430% * 99.2875% (0.96 10.00   5.31 216.51) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  11.30 +/- 0.83   0.136% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  15.48 +/- 1.03   0.022% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  14.58 +/- 1.87   0.035% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.19 +/- 0.82   0.093% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.53 +/- 1.08   0.080% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  17.21 +/- 1.76   0.012% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.57 +/- 1.08   0.081% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.45 +/- 1.20   0.008% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  14.00 +/- 1.60   0.043% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.49 +/- 1.97   0.022% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.61 +/- 1.60   0.016% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  16.36 +/- 1.47   0.016% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.68 +/- 2.02   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  21.41 +/- 2.13   0.004% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.787, support = 5.44, residual support = 218.0:
    * O T HB2   LEU  104 - QD1   LEU  104   2.37 +/- 0.30  33.665% * 94.8278% (0.84  10.0 10.00   5.43 216.51) =  93.747%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  60.287% *  3.5262% (0.03  10.0 10.00   5.62 240.08) =   6.243%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.18 +/- 0.89   2.242% *  0.1140% (0.10   1.0 10.00   0.02   0.21) =   0.008%
          QG2   VAL  108 - QD1   LEU   63   7.82 +/- 1.69   3.776% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.002%
        T QD1   ILE  119 - QD1   LEU  104  11.32 +/- 1.12   0.003% *  0.6189% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   9.28 +/- 0.90   0.010% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.93 +/- 1.00   0.004% *  0.1915% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.33 +/- 0.53   0.004% *  0.1055% (0.93   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  14.06 +/- 1.05   0.001% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  13.83 +/- 1.24   0.001% *  0.1140% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.20 +/- 1.15   0.002% *  0.0353% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.94 +/- 1.17   0.003% *  0.0106% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.59 +/- 1.33   0.001% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.25 +/- 0.94   0.000% *  0.0575% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  21.74 +/- 1.45   0.000% *  0.0106% (0.09   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 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.685, support = 5.07, residual support = 218.4:
    * O T HB3   LEU  104 - QD1   LEU  104   2.53 +/- 0.36  51.148% * 89.6045% (0.74  10.0 10.00   5.00 216.51) =  92.037%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.62 +/- 0.25  44.650% *  8.8779% (0.07  10.0 10.00   5.88 240.08) =   7.960%  kept
          QG1   VAL   70 - QD1   LEU   63   5.68 +/- 1.32   2.687% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   6.47 +/- 1.22   0.389% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.69 +/- 0.60   0.429% *  0.0194% (0.16   1.0  1.00   0.02   0.35) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.60 +/- 0.78   0.011% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   6.42 +/- 0.81   0.244% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.70 +/- 1.07   0.212% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.36 +/- 1.06   0.026% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   73   7.48 +/- 1.23   0.113% *  0.0214% (0.18   1.0  1.00   0.02   0.36) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63  10.33 +/- 0.98   0.013% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.09 +/- 1.35   0.015% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  10.83 +/- 1.03   0.010% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.99 +/- 1.19   0.035% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.51 +/- 1.33   0.007% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.49 +/- 1.15   0.011% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  15.43 +/- 1.04   0.001% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.26 +/- 1.15   0.001% *  0.0214% (0.18   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 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 216.5:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  85.174% * 98.9901% (0.97  10.0 10.00   5.28 216.51) =  99.999%  kept
          QG2   THR   26 - QD1   LEU   73   3.33 +/- 0.82  14.025% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QD1   LEU  104   7.08 +/- 1.47   0.155% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.95 +/- 1.86   0.083% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.32 +/- 1.20   0.116% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.89 +/- 1.14   0.006% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.60 +/- 1.01   0.154% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.64 +/- 0.78   0.054% *  0.0125% (0.12   1.0  1.00   0.02   5.47) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.39 +/- 1.27   0.112% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.83 +/- 1.50   0.027% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   8.60 +/- 0.71   0.023% *  0.0176% (0.17   1.0  1.00   0.02  40.10) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  14.05 +/- 1.12   0.001% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   7.96 +/- 0.73   0.043% *  0.0045% (0.04   1.0  1.00   0.02   1.53) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.25 +/- 1.66   0.010% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  13.14 +/- 1.39   0.002% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.39 +/- 1.82   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.82 +/- 1.49   0.001% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.81 +/- 1.26   0.000% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  11.65 +/- 1.55   0.004% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.08 +/- 0.84   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.79 +/- 0.99   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.38 +/- 0.83   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.68 +/- 1.35   0.000% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.78 +/- 0.74   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.06 +/- 1.20   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  19.94 +/- 1.81   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  17.13 +/- 1.68   0.000% *  0.0056% (0.05   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 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 = 5.43, residual support = 216.5:
    * O T QD2   LEU  104 - QD1   LEU  104   2.09 +/- 0.04  95.127% * 98.3006% (0.97  10.0 10.00   5.43 216.51) =  99.999%  kept
        T QG2   VAL   18 - QD1   LEU   63   7.06 +/- 0.99   0.202% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.90 +/- 0.80   0.097% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.38 +/- 0.79   0.573% *  0.0303% (0.30   1.0  1.00   0.02   9.31) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   6.34 +/- 0.78   0.168% *  0.1025% (0.10   1.0 10.00   0.02   0.35) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   4.86 +/- 0.65   0.833% *  0.0175% (0.17   1.0  1.00   0.02   4.43) =   0.000%
          QG1   VAL   43 - QD1   LEU   73   5.03 +/- 1.20   2.343% *  0.0062% (0.06   1.0  1.00   0.02   1.30) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   5.83 +/- 0.78   0.295% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.88 +/- 0.97   0.010% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.20 +/- 0.69   0.003% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 0.67   0.039% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   7.43 +/- 1.24   0.079% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   6.75 +/- 0.79   0.109% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.25 +/- 0.91   0.015% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  12.68 +/- 1.19   0.002% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.96 +/- 0.90   0.019% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.03 +/- 0.96   0.040% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   8.01 +/- 0.95   0.040% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.94 +/- 0.91   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  11.52 +/- 1.01   0.004% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.90 +/- 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 = 5.7, residual support = 216.5:
    *   T HA    LEU  104 - QD2   LEU  104   2.54 +/- 0.50  99.838% * 99.4871% (1.00 10.00   5.70 216.51) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41  10.42 +/- 0.66   0.033% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.51 +/- 1.06   0.075% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.53 +/- 0.89   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  14.44 +/- 1.74   0.007% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  17.15 +/- 1.66   0.002% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.19 +/- 1.61   0.009% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.81 +/- 1.22   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  12.39 +/- 1.02   0.014% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  13.68 +/- 1.23   0.008% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.64 +/- 1.30   0.005% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.94 +/- 1.82   0.000% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  17.74 +/- 0.90   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  16.99 +/- 1.13   0.002% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.62 +/- 1.59   0.003% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.12, residual support = 216.5:
    * O T HB2   LEU  104 - QD2   LEU  104   2.98 +/- 0.31  98.810% * 99.4846% (0.87  10.0 10.00   6.12 216.51) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   8.98 +/- 0.65   0.172% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.44 +/- 0.42   0.062% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   8.00 +/- 1.40   0.622% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.32 +/- 1.24   0.024% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.32 +/- 1.02   0.010% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.90 +/- 1.40   0.133% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.25 +/- 1.69   0.052% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.34 +/- 1.27   0.024% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.37 +/- 0.80   0.025% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.98 +/- 0.83   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.11 +/- 1.12   0.017% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.30 +/- 1.19   0.045% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  18.34 +/- 1.43   0.002% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  21.58 +/- 0.95   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.91, residual support = 176.3:
    * O T HB3   LEU  104 - QD2   LEU  104   2.44 +/- 0.36  29.054% * 83.3286% (0.76  10.0 10.00   5.28 216.51) =  71.206%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.04  65.152% * 15.0261% (0.14  10.0 10.00   4.00  76.78) =  28.793%  kept
          QD1   LEU   71 - QG1   VAL   41   4.16 +/- 1.14   5.224% *  0.0058% (0.05   1.0  1.00   0.02   0.97) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.80 +/- 1.24   0.044% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   6.75 +/- 0.87   0.070% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   6.53 +/- 1.26   0.178% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.01 +/- 1.22   0.002% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   5.72 +/- 0.58   0.169% *  0.0057% (0.05   1.0  1.00   0.02   2.73) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.35 +/- 0.61   0.037% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.38 +/- 1.18   0.005% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.12 +/- 1.63   0.004% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.32 +/- 0.75   0.041% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41  10.13 +/- 0.62   0.005% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  12.05 +/- 1.15   0.002% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.01 +/- 1.46   0.005% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.60 +/- 1.11   0.000% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.52 +/- 1.22   0.005% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.84 +/- 1.26   0.001% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.81, residual support = 216.5:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  88.850% * 99.1828% (1.00  10.0 10.00   5.81 216.51) =  99.996%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.41 +/- 1.64   7.368% *  0.0449% (0.04   1.0  1.00   0.24   0.02) =   0.004%
          HD3   LYS+  74 - QG2   VAL   18   4.20 +/- 1.07   3.153% *  0.0147% (0.15   1.0  1.00   0.02   1.47) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   8.14 +/- 1.59   0.055% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   8.37 +/- 0.87   0.031% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   9.03 +/- 1.55   0.026% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   5.69 +/- 1.00   0.389% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   8.44 +/- 1.00   0.031% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   7.83 +/- 0.84   0.046% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.06 +/- 1.17   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.49 +/- 1.82   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.75 +/- 1.93   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  10.25 +/- 1.15   0.010% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.75 +/- 1.53   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  18.16 +/- 1.57   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.53 +/- 0.58   0.023% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.10 +/- 1.25   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.74 +/- 1.38   0.002% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.35 +/- 0.96   0.003% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.84 +/- 0.95   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.25 +/- 1.40   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.13 +/- 0.56   0.002% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  14.39 +/- 1.70   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  18.21 +/- 1.51   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.45 +/- 1.84   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  12.91 +/- 1.06   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  19.29 +/- 1.84   0.000% *  0.0052% (0.05   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 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.43, residual support = 216.5:
    * O T QD1   LEU  104 - QD2   LEU  104   2.09 +/- 0.04  99.118% * 98.4528% (0.97  10.0 10.00   5.43 216.51) = 100.000%  kept
        T QD1   LEU   63 - QG2   VAL   18   7.06 +/- 0.99   0.208% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   6.34 +/- 0.78   0.174% *  0.0644% (0.06   1.0 10.00   0.02   0.35) =   0.000%
        T QD1   LEU   73 - QG1   VAL   41   5.83 +/- 0.78   0.307% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.90 +/- 0.80   0.102% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.88 +/- 0.97   0.011% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  12.68 +/- 1.19   0.002% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.20 +/- 0.69   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.25 +/- 0.91   0.016% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   9.40 +/- 1.03   0.015% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  13.27 +/- 1.13   0.002% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.14 +/- 1.32   0.001% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  10.92 +/- 0.88   0.006% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.69 +/- 1.08   0.014% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.75 +/- 1.31   0.001% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.26 +/- 1.09   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  12.17 +/- 1.32   0.004% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.25 +/- 1.20   0.009% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.33 +/- 0.97   0.004% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.94 +/- 0.50   0.003% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.92 +/- 1.09   0.001% *  0.0042% (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 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 = 3.19, residual support = 42.3:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.51 +/- 0.17  99.927% * 99.5527% (0.95  10.0 10.00   3.19  42.34) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   9.12 +/- 0.43   0.050% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.47 +/- 1.23   0.013% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.20 +/- 0.87   0.002% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.25 +/- 0.91   0.006% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.65 +/- 1.32   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  21.21 +/- 0.63   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  19.18 +/- 1.34   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  24.55 +/- 1.05   0.000% *  0.0512% (0.49   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 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.19, residual support = 42.3:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.51 +/- 0.17  99.999% * 99.7814% (0.95  10.0 10.00   3.19  42.34) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.73 +/- 1.27   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  26.49 +/- 0.99   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  25.09 +/- 0.94   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  22.98 +/- 1.23   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.25 +/- 0.17  98.229% * 99.1664% (1.00  10.0 10.00   6.31 136.21) =  99.998%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.54 +/- 0.36   1.694% *  0.0860% (0.87   1.0  1.00   0.02  21.49) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.05 +/- 0.69   0.060% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.39 +/- 1.44   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.52 +/- 0.93   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  15.21 +/- 1.42   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  15.90 +/- 2.20   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.45 +/- 0.90   0.001% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.58 +/- 0.84   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.29 +/- 1.26   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.44 +/- 1.22   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  19.00 +/- 0.61   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.70 +/- 1.07   0.001% *  0.0153% (0.15   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 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 136.2:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.64 +/- 0.61  99.454% * 98.2431% (1.00  10.0 10.00   5.02 136.21) = 100.000%  kept
        T QG    LYS+  81 - HA    LYS+ 106  17.25 +/- 0.80   0.012% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 106  10.28 +/- 2.31   0.509% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.67 +/- 1.39   0.006% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  16.62 +/- 1.32   0.018% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 136.2:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.74 +/- 0.54  98.420% * 98.5750% (1.00 10.00   4.80 136.21) =  99.998%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.45 +/- 0.48   0.158% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   9.67 +/- 1.24   0.544% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.68 +/- 1.00   0.170% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  11.07 +/- 0.80   0.192% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.63 +/- 1.51   0.108% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.95 +/- 0.56   0.207% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.67 +/- 1.13   0.151% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  16.48 +/- 0.85   0.019% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.87 +/- 1.10   0.032% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.975, support = 5.06, residual support = 124.5:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.14 +/- 0.67  55.754% * 88.5265% (1.00 10.00   5.22 136.21) =  90.827%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.41 +/- 0.70  44.047% * 11.3170% (0.73  1.00   3.52   8.68) =   9.173%  kept
          HB3   PHE   60 - HA    LYS+ 106  10.87 +/- 0.88   0.181% *  0.0837% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  16.69 +/- 0.77   0.014% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  20.00 +/- 1.22   0.005% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.31, residual support = 136.2:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   6.31 136.21) = 100.000%  kept
    Distance limit 3.37 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 = 5.32, residual support = 136.2:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.11  99.961% * 98.2431% (1.00  10.0 10.00   5.32 136.21) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  15.07 +/- 0.90   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.46 +/- 2.14   0.037% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.14 +/- 1.45   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  15.97 +/- 1.32   0.001% *  0.0172% (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 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 136.2:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.09  99.885% * 97.1433% (1.00  10.0 10.00   5.08 136.21) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.69 +/- 1.22   0.027% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.02 +/- 0.52   0.008% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.36 +/- 1.46   0.009% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.12 +/- 1.19   0.016% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  10.25 +/- 0.87   0.018% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  15.21 +/- 0.93   0.001% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.79 +/- 1.12   0.022% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.55 +/- 0.69   0.012% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  15.37 +/- 1.06   0.001% *  0.0919% (0.95   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 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.99, support = 5.33, residual support = 131.5:
    *   T QE    LYS+ 106 - QB    LYS+ 106   3.03 +/- 0.59  88.913% * 76.2731% (1.00 10.00   5.50 136.21) =  96.312%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.04 +/- 0.97  11.007% * 23.5920% (0.73 10.00   0.85   8.68) =   3.688%  kept
          HB3   PHE   60 - QB    LYS+ 106  10.95 +/- 1.03   0.066% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  15.00 +/- 0.97   0.010% *  0.0524% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.90 +/- 1.25   0.003% *  0.0103% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 136.2:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.64 +/- 0.61  99.981% * 99.1803% (1.00  10.0 10.00   5.02 136.21) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.67 +/- 1.39   0.006% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.25 +/- 0.80   0.012% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1325 (1.87, 1.56, 25.37 ppm):
    39 chemical-shift based assignments, quality = 0.731, support = 5.29, residual support = 134.9:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.27 +/- 0.11  27.607% * 54.3218% (1.00  10.0 10.00   5.32 136.21) =  51.602%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.25 +/- 0.06  28.523% * 31.1646% (0.57  10.0 10.00   5.70 152.35) =  30.587%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  43.405% * 11.9258% (0.22  10.0 10.00   4.47 101.34) =  17.812%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.24 +/- 1.05   0.096% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.45 +/- 0.92   0.258% *  0.0135% (0.25   1.0  1.00   0.02   0.29) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.45 +/- 0.62   0.072% *  0.0471% (0.87   1.0  1.00   0.02  21.49) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   8.86 +/- 2.51   0.030% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.60 +/- 1.44   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.94 +/- 1.00   0.002% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.00 +/- 1.20   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.07 +/- 0.90   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.14 +/- 1.45   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.11 +/- 1.86   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.02 +/- 1.93   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.13 +/- 0.71   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.67 +/- 0.63   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.55 +/- 1.59   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  18.30 +/- 2.77   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  17.31 +/- 1.78   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.88 +/- 1.45   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  17.76 +/- 1.46   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.02 +/- 1.78   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  16.53 +/- 1.83   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.12 +/- 0.80   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.54 +/- 1.84   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.74 +/- 1.58   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.88 +/- 1.58   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.91 +/- 0.65   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.48 +/- 1.14   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.65 +/- 1.80   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.68 +/- 0.84   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.97 +/- 1.93   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  26.08 +/- 1.63   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  18.35 +/- 1.72   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  24.38 +/- 0.62   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  30.44 +/- 1.55   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.86 +/- 0.74   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  27.14 +/- 1.03   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.01 +/- 1.92   0.000% *  0.0051% (0.09   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 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 136.2:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.12  99.852% * 96.6493% (1.00  10.0 10.00   4.10 136.21) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  11.90 +/- 0.76   0.006% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33   8.88 +/- 1.29   0.067% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.91 +/- 1.59   0.002% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.13 +/- 1.50   0.025% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.09 +/- 1.72   0.009% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  12.93 +/- 1.71   0.005% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.38 +/- 0.87   0.008% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  18.92 +/- 2.06   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.83 +/- 2.04   0.003% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.11 +/- 1.29   0.001% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  13.07 +/- 1.15   0.004% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  12.70 +/- 0.89   0.004% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.12 +/- 1.56   0.004% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  17.73 +/- 1.92   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.47 +/- 1.47   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.50 +/- 1.59   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.19 +/- 0.74   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  14.87 +/- 1.31   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.11 +/- 1.47   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.82 +/- 1.30   0.002% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.96 +/- 1.37   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.51 +/- 1.12   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  22.09 +/- 1.33   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.55 +/- 2.27   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.54 +/- 1.51   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  26.24 +/- 1.09   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.82 +/- 0.79   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.46 +/- 1.61   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  26.85 +/- 0.79   0.000% *  0.0095% (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 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 136.2:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.78 +/- 0.42  94.850% * 98.7341% (1.00  10.0 10.00   4.51 136.21) =  99.996%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.86 +/- 1.12   4.745% *  0.0717% (0.73   1.0  1.00   0.02   8.68) =   0.004%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.83   0.279% *  0.0081% (0.08   1.0  1.00   0.02   1.15) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.39 +/- 0.74   0.042% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  13.50 +/- 1.75   0.011% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.35 +/- 0.66   0.049% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  18.95 +/- 1.61   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  16.70 +/- 1.79   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  13.27 +/- 1.13   0.011% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.25 +/- 1.56   0.002% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.94 +/- 1.36   0.003% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.67 +/- 1.59   0.001% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  18.96 +/- 0.87   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.59 +/- 1.45   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.37 +/- 1.51   0.000% *  0.0029% (0.03   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 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 136.2:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.74 +/- 0.54  99.839% * 99.1942% (0.99 10.00   4.80 136.21) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.45 +/- 0.48   0.161% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 136.2:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.27 +/- 0.09  98.368% * 96.5416% (0.99  10.0 10.00   5.08 136.21) =  99.999%  kept
          HB    ILE  103 - QD    LYS+ 106   6.13 +/- 1.48   1.043% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.24 +/- 0.57   0.292% *  0.0837% (0.86   1.0  1.00   0.02  21.49) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   7.65 +/- 1.10   0.169% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.02 +/- 0.52   0.008% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.31 +/- 1.82   0.004% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.56 +/- 0.67   0.038% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  10.70 +/- 2.34   0.037% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.50 +/- 0.54   0.020% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.38 +/- 1.71   0.003% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  13.27 +/- 1.13   0.003% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.84 +/- 1.25   0.006% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  16.95 +/- 2.75   0.002% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.17 +/- 1.27   0.000% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  15.96 +/- 1.18   0.001% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.65 +/- 1.52   0.001% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  15.18 +/- 1.54   0.001% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.85 +/- 1.96   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  17.85 +/- 1.19   0.000% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.09 +/- 1.42   0.000% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.78 +/- 1.76   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.52 +/- 0.98   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.66 +/- 1.13   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.50 +/- 1.26   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.29 +/- 0.75   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  21.19 +/- 1.39   0.000% *  0.0121% (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 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 136.2:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.29 +/- 0.12  99.954% * 96.1045% (0.99  10.0 10.00   4.10 136.21) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.90 +/- 0.76   0.006% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.91 +/- 1.59   0.002% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.11 +/- 1.29   0.001% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.12 +/- 2.81   0.035% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  18.92 +/- 2.06   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.19 +/- 0.74   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  17.38 +/- 1.37   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.75 +/- 1.24   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.29 +/- 2.04   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 136.2:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.08 +/- 0.02  99.687% * 98.7514% (0.99  10.0 10.00   3.38 136.21) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.10 +/- 0.77   0.249% *  0.0717% (0.72   1.0  1.00   0.02   8.68) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  10.78 +/- 0.99   0.006% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.67 +/- 0.60   0.049% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  12.44 +/- 1.50   0.004% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.05 +/- 1.68   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.49 +/- 1.32   0.003% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  17.21 +/- 1.45   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.71 +/- 1.24   0.000% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.24 +/- 1.97   0.000% *  0.0134% (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 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.22, residual support = 136.2:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.14 +/- 0.67 100.000% *100.0000% (1.00 10.00   5.22 136.21) = 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 = 0.986, support = 5.33, residual support = 124.5:
    *   T QB    LYS+ 106 - QE    LYS+ 106   3.03 +/- 0.59  84.726% * 53.3343% (1.00 10.00   5.50 136.21) =  89.774%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.72 +/- 1.45  11.122% * 46.2637% (0.87 10.00   3.81  21.49) =  10.222%  kept
          HB    ILE  103 - QE    LYS+ 106   6.07 +/- 1.30   4.068% *  0.0427% (0.80  1.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - QE    LYS+ 106  16.58 +/- 2.69   0.017% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  13.77 +/- 1.49   0.017% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  14.13 +/- 1.80   0.012% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.50 +/- 2.13   0.020% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  16.58 +/- 1.72   0.004% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.70 +/- 1.11   0.003% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.49 +/- 0.82   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  19.60 +/- 1.71   0.002% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.07 +/- 1.79   0.003% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.98 +/- 1.75   0.004% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 136.2:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.78 +/- 0.42  99.843% * 98.2431% (1.00  10.0 10.00   4.51 136.21) = 100.000%  kept
        T QG    LYS+  81 - QE    LYS+ 106  16.70 +/- 1.79   0.003% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+ 106  10.43 +/- 2.41   0.151% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  18.95 +/- 1.61   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  17.76 +/- 1.13   0.002% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 136.2:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.08 +/- 0.02  99.935% * 98.5861% (0.99  10.0 10.00   3.38 136.21) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  10.78 +/- 0.99   0.006% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.18 +/- 1.56   0.029% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.98 +/- 2.02   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.14 +/- 1.34   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.99 +/- 1.96   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  10.48 +/- 0.99   0.007% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  12.09 +/- 1.38   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.31 +/- 2.22   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  16.86 +/- 1.84   0.001% *  0.0892% (0.90   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 1341 (2.98, 2.98, 42.19 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 106 - QE    LYS+ 106  (1.00)  kept
 
    Peak 1342 (4.48, 4.48, 62.32 ppm):
    1 diagonal assignment:
    *     HA    VAL  107 - HA    VAL  107  (1.00)  kept
 
    Peak 1343 (2.40, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.3:
    * O T HB    VAL  107 - HA    VAL  107   2.88 +/- 0.18  99.841% * 99.6302% (0.73  10.0 10.00   3.31  60.28) = 100.000%  kept
          HB3   PHE   45 - HA    VAL  107  11.01 +/- 1.19   0.049% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    VAL  107  11.08 +/- 1.08   0.040% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.91 +/- 0.62   0.068% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  19.27 +/- 1.00   0.001% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.62 +/- 0.93   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.85 +/- 0.67   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 60.3:
    * O T HA    VAL  107 - HB    VAL  107   2.88 +/- 0.18  99.502% * 99.7511% (0.73  10.0 10.00   3.31  60.28) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   8.00 +/- 1.39   0.459% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  12.74 +/- 1.18   0.018% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  13.79 +/- 0.98   0.010% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.94 +/- 1.47   0.010% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.93 +/- 1.08   0.001% *  0.0799% (0.58   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 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 = 3.58, residual support = 65.2:
    * O T HB    VAL  108 - HA    VAL  108   2.74 +/- 0.35  93.700% * 99.4465% (1.00  10.0 10.00   3.58  65.16) =  99.995%  kept
          HB2   PRO   93 - HA    VAL  108   4.84 +/- 0.82   6.284% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          HB    ILE  119 - HA    VAL  108  13.42 +/- 0.99   0.010% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.94 +/- 1.43   0.005% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.80 +/- 1.36   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.88 +/- 1.73   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  23.00 +/- 0.39   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.07 +/- 1.34   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.77 +/- 2.91   0.000% *  0.0135% (0.14   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 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.2:
    * O T QG1   VAL  108 - HA    VAL  108   2.61 +/- 0.05  99.965% * 99.8607% (1.00  10.0 10.00   3.97  65.16) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  12.57 +/- 1.71   0.023% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  14.29 +/- 0.76   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  14.39 +/- 1.30   0.005% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.45 +/- 2.22   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.2:
    * O T QG2   VAL  108 - HA    VAL  108   2.53 +/- 0.45  99.927% * 99.7938% (1.00  10.0 10.00   3.30  65.16) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  10.23 +/- 1.12   0.043% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  11.59 +/- 0.97   0.023% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.76 +/- 0.33   0.006% *  0.0963% (0.97   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 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 65.2:
    * O T HA    VAL  108 - HB    VAL  108   2.74 +/- 0.35  97.714% * 99.8175% (1.00  10.0 10.00   3.58  65.16) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.45 +/- 0.32   2.269% *  0.0308% (0.31   1.0  1.00   0.02   7.46) =   0.001%
          HA    ALA   47 - HB    VAL  108  13.38 +/- 1.61   0.011% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.41 +/- 1.73   0.005% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.02 +/- 1.58   0.001% *  0.0198% (0.20   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 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 = 3.75, residual support = 65.2:
    * O T QG1   VAL  108 - HB    VAL  108   2.12 +/- 0.01  99.989% * 99.8607% (1.00  10.0 10.00   3.75  65.16) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  13.84 +/- 1.98   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.25 +/- 0.78   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.25 +/- 1.62   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.09 +/- 2.49   0.001% *  0.0175% (0.18   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 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.2:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.00  99.992% * 99.1471% (1.00  10.0 10.00   3.30  65.16) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.71 +/- 1.01   0.005% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.91 +/- 0.39   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  13.41 +/- 0.78   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 64.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.61 +/- 0.05  79.713% * 95.2094% (1.00  10.0 10.00   3.97  65.16) =  98.776%  kept
          HA1   GLY  109 - QG1   VAL  108   3.30 +/- 0.16  20.238% *  4.6459% (0.31   1.0  1.00   3.16   7.46) =   1.224%  kept
          HA    ALA   47 - QG1   VAL  108  10.59 +/- 1.39   0.031% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.25 +/- 1.58   0.015% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.97 +/- 1.37   0.003% *  0.0188% (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 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 65.2:
    * O T HB    VAL  108 - QG1   VAL  108   2.12 +/- 0.01  99.789% * 99.4465% (1.00  10.0 10.00   3.75  65.16) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   6.24 +/- 0.72   0.207% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.91 +/- 1.46   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.52 +/- 0.82   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.50 +/- 1.67   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.53 +/- 1.93   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.08 +/- 0.47   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  20.60 +/- 1.48   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  33.38 +/- 2.83   0.000% *  0.0135% (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 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.2:
    * O T QG2   VAL  108 - QG1   VAL  108   2.08 +/- 0.03  99.985% * 99.7938% (1.00  10.0 10.00   3.44  65.16) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.57 +/- 1.01   0.008% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.62 +/- 0.36   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.20 +/- 0.77   0.005% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.2:
    * O T HA    VAL  108 - QG2   VAL  108   2.53 +/- 0.45  97.329% * 99.8175% (1.00  10.0 10.00   3.30  65.16) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.23 +/- 0.31   2.642% *  0.0308% (0.31   1.0  1.00   0.02   7.46) =   0.001%
          HA    ALA   47 - QG2   VAL  108  10.94 +/- 1.39   0.018% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.74 +/- 1.27   0.008% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.73 +/- 1.20   0.002% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 65.2:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.00  99.700% * 98.6316% (1.00  10.0 10.00   3.30  65.16) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   6.09 +/- 0.93   0.293% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  12.27 +/- 1.07   0.004% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.59 +/- 1.08   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.77 +/- 1.42   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.85 +/- 0.40   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  17.83 +/- 1.55   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  18.71 +/- 1.64   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.59 +/- 2.64   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 65.2:
    * O T QG1   VAL  108 - QG2   VAL  108   2.08 +/- 0.03  99.813% * 99.8607% (1.00  10.0 10.00   3.44  65.16) = 100.000%  kept
          HB3   LEU   63 - QG2   VAL  108  11.12 +/- 2.00   0.174% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG2   VAL  108  11.52 +/- 0.68   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.24 +/- 1.62   0.006% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.09 +/- 2.28   0.003% *  0.0175% (0.18   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 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 = 9.34:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 98.9563% (1.00  10.0 10.00   2.00   9.34) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.01 +/- 2.02   0.000% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.04 +/- 1.57   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  13.38 +/- 0.44   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.50 +/- 0.84   0.000% *  0.0719% (0.73   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 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.34:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.604% * 97.8789% (1.00  10.0 10.00   2.00   9.34) = 100.000%  kept
          HA    VAL  108 - HA2   GLY  109   4.41 +/- 0.05   0.393% *  0.0302% (0.31   1.0  1.00   0.02   7.46) =   0.000%
        T HA    CYS   50 - HA2   GLY  109  12.82 +/- 2.00   0.001% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.32 +/- 1.87   0.000% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.13 +/- 1.79   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.25 +/- 0.43   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  25.03 +/- 1.43   0.000% *  0.0818% (0.84   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 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  99.994% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  13.01 +/- 2.51   0.003% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.75 +/- 1.66   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  16.56 +/- 2.37   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  19.51 +/- 1.90   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.71 +/- 2.69   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.97 +/- 2.26   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  20.19 +/- 2.63   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  18.09 +/- 0.85   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  22.05 +/- 2.16   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  25.43 +/- 2.29   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  24.04 +/- 1.98   0.000% *  0.0304% (0.31   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 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  99.233% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   7.00 +/- 2.61   0.361% *  0.0857% (0.87   1.0  1.00   0.02   0.11) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.13 +/- 1.45   0.286% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  13.01 +/- 2.51   0.003% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   8.00 +/- 1.47   0.091% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.84 +/- 0.97   0.007% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61  10.71 +/- 1.02   0.008% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  14.15 +/- 2.16   0.002% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.13 +/- 0.71   0.005% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.24 +/- 0.58   0.002% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.90 +/- 0.80   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  14.45 +/- 1.22   0.001% *  0.0145% (0.15   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 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 = 315.0:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.69 +/- 0.17  94.951% * 98.9314% (1.00  10.0 10.00   7.98 315.01) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.57 +/- 0.57   5.036% *  0.0560% (0.57   1.0  1.00   0.02   2.33) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  12.10 +/- 0.77   0.012% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  28.31 +/- 1.29   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.15 +/- 1.55   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  22.61 +/- 1.76   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  27.03 +/- 1.45   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  28.13 +/- 0.93   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  26.65 +/- 0.86   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  32.28 +/- 1.02   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  27.49 +/- 1.09   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.46 +/- 1.06   0.000% *  0.0275% (0.28   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 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.48 +/- 0.31  99.052% * 99.2615% (1.00  10.0 10.00   7.31 315.01) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.25 +/- 0.97   0.834% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.86 +/- 1.02   0.020% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 111  15.18 +/- 1.11   0.017% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  15.16 +/- 0.90   0.017% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.47 +/- 1.24   0.039% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  16.06 +/- 0.92   0.012% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.39 +/- 0.77   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.20 +/- 1.23   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.30 +/- 1.73   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.60 +/- 1.14   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  28.44 +/- 1.06   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.47 +/- 1.20   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.36 +/- 0.30  98.887% * 99.3524% (1.00  10.0 10.00   7.31 315.01) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.71 +/- 1.04   1.110% *  0.0373% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  16.27 +/- 1.55   0.002% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  20.88 +/- 1.40   0.000% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.59 +/- 1.25   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  26.82 +/- 0.84   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  27.74 +/- 0.91   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  27.81 +/- 1.10   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 315.0:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.09 +/- 0.37  96.698% * 98.3525% (1.00 10.00   6.21 315.01) =  99.997%  kept
          HG3   PRO   93 - HA    LYS+ 111   6.86 +/- 1.10   1.897% *  0.0853% (0.87  1.00   0.02   0.02) =   0.002%
          HB3   MET   92 - HA    LYS+ 111   8.79 +/- 1.46   1.350% *  0.0964% (0.98  1.00   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LYS+ 111  11.89 +/- 1.64   0.045% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.93 +/- 1.41   0.001% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.36 +/- 1.74   0.002% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.58 +/- 0.65   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.05 +/- 1.17   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.83 +/- 1.28   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  24.80 +/- 1.17   0.000% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.32 +/- 1.61   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.14 +/- 0.31  99.408% * 98.5544% (1.00 10.00   6.21 315.01) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.73 +/- 1.33   0.474% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.36 +/- 1.74   0.012% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.92 +/- 1.00   0.080% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.45 +/- 1.00   0.014% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  28.42 +/- 1.00   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  21.21 +/- 1.26   0.006% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.32 +/- 1.61   0.005% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.98 +/- 0.18  99.988% * 99.8490% (1.00 10.00   5.62 315.01) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.94 +/- 0.86   0.012% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  26.00 +/- 0.94   0.000% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 315.0:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.69 +/- 0.17  99.985% * 99.7221% (1.00  10.0 10.00   7.98 315.01) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.64 +/- 1.61   0.015% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  28.31 +/- 1.29   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  27.12 +/- 1.77   0.000% *  0.0130% (0.13   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 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 = 315.0:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.72 +/- 0.13  99.188% * 98.9173% (1.00  10.0 10.00   7.31 315.01) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.48 +/- 0.79   0.586% *  0.0197% (0.20   1.0  1.00   0.02  48.33) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.23 +/- 1.25   0.139% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.74 +/- 1.24   0.005% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.36 +/- 1.51   0.004% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.25 +/- 1.09   0.014% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  15.15 +/- 1.26   0.004% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  12.37 +/- 1.62   0.017% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.15 +/- 1.42   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.02 +/- 1.45   0.006% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.20 +/- 0.79   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  16.51 +/- 1.21   0.002% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.39 +/- 0.83   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.05 +/- 1.28   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.03 +/- 1.65   0.003% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.16 +/- 1.96   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.34 +/- 0.96   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.10 +/- 1.90   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.68 +/- 1.90   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.93 +/- 1.35   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.50 +/- 2.27   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  18.41 +/- 0.90   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.82 +/- 1.81   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.35 +/- 2.05   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.20 +/- 1.92   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  21.47 +/- 1.42   0.000% *  0.0061% (0.06   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 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.0:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.98 +/- 0.06  94.857% * 98.4912% (1.00  10.0 10.00   7.29 315.01) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.97 +/- 1.11   0.529% *  0.0370% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   5.88 +/- 1.11   3.334% *  0.0039% (0.04   1.0  1.00   0.02  15.05) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.46 +/- 1.45   0.744% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  10.74 +/- 1.60   0.067% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30   8.49 +/- 1.44   0.456% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  16.31 +/- 2.01   0.005% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  21.28 +/- 1.70   0.001% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  27.08 +/- 1.49   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  17.77 +/- 1.17   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  27.61 +/- 1.52   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.74 +/- 1.67   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  17.10 +/- 1.33   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.03 +/- 1.99   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  26.20 +/- 1.61   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  29.60 +/- 2.42   0.000% *  0.0074% (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 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.0:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.26 +/- 0.39  86.545% * 97.6852% (1.00  10.0 10.00   6.62 315.01) =  99.997%  kept
          HB2   LEU   73 - HG3   GLN   30   4.70 +/- 1.74  13.344% *  0.0176% (0.18   1.0  1.00   0.02   6.97) =   0.003%
          HG3   PRO   93 - HB2   LYS+ 111   8.17 +/- 1.20   0.056% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111   9.97 +/- 1.39   0.023% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.73 +/- 2.25   0.020% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.49 +/- 1.97   0.000% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  17.39 +/- 1.52   0.001% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.49 +/- 0.79   0.002% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.43 +/- 1.03   0.001% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.73 +/- 1.85   0.000% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  14.84 +/- 2.30   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.62 +/- 1.78   0.000% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.67 +/- 1.10   0.004% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  23.57 +/- 1.41   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.92 +/- 1.46   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.57 +/- 1.90   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.17 +/- 2.06   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  24.80 +/- 1.63   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.78 +/- 1.61   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.50 +/- 1.74   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.62 +/- 1.68   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  24.81 +/- 1.81   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.993, support = 6.57, residual support = 312.5:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.03 +/- 0.26  89.228% * 92.1301% (1.00  10.0 10.00   6.62 315.01) =  99.203%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.07 +/- 1.08  10.604% *  6.2279% (0.18   1.0 10.00   0.75   0.29) =   0.797%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.96 +/- 1.41   0.033% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  11.05 +/- 1.69   0.068% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.43 +/- 1.37   0.025% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  14.84 +/- 2.30   0.012% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.73 +/- 1.85   0.001% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.37 +/- 0.97   0.003% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.95 +/- 1.43   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.67 +/- 1.10   0.021% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  21.61 +/- 1.49   0.001% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.36 +/- 1.34   0.002% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  30.06 +/- 2.02   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.50 +/- 1.74   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.17 +/- 2.00   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  21.65 +/- 1.89   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.0:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.62 +/- 0.43  75.989% * 99.6189% (1.00 10.00   6.06 315.01) =  99.996%  kept
          HB2   CYS   21 - HG3   GLN   30   5.13 +/- 1.36  23.974% *  0.0113% (0.11  1.00   0.02   0.02) =   0.004%
          HB2   PHE   45 - HB2   LYS+ 111  14.36 +/- 1.42   0.024% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  15.98 +/- 1.38   0.012% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  27.30 +/- 1.10   0.000% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  26.11 +/- 1.35   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 315.0:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.48 +/- 0.31  99.909% * 99.9354% (1.00  10.0 10.00   7.31 315.01) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.51 +/- 2.30   0.091% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.72 +/- 0.13  84.469% * 98.9314% (1.00  10.0 10.00   7.31 315.01) =  99.990%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.44 +/- 1.45  15.523% *  0.0560% (0.57   1.0  1.00   0.02   2.33) =   0.010%
          HB    ILE  119 - HG2   LYS+ 111  13.40 +/- 1.31   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.50 +/- 2.27   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  24.98 +/- 2.46   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  23.34 +/- 2.66   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  27.97 +/- 1.86   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  28.54 +/- 1.96   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  27.13 +/- 1.93   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  32.32 +/- 2.21   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.64 +/- 2.53   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  27.50 +/- 2.24   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 315.0:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.987% * 98.1828% (1.00  10.0 10.00   6.98 315.01) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   9.43 +/- 1.43   0.012% *  0.0368% (0.38   1.0  1.00   0.02  28.08) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  15.73 +/- 2.48   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  21.90 +/- 2.11   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.87 +/- 2.65   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  27.14 +/- 2.13   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  27.99 +/- 1.97   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  28.38 +/- 2.07   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 = 315.0:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.94 +/- 0.04  98.657% * 97.1375% (1.00  10.0 10.00   6.21 315.01) =  99.997%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.59 +/- 3.18   0.191% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HG2   LYS+ 111   9.30 +/- 2.13   0.690% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   8.33 +/- 1.40   0.455% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.45 +/- 2.33   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  20.61 +/- 2.69   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.27 +/- 1.20   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.86 +/- 2.01   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.19 +/- 2.60   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  25.25 +/- 2.25   0.000% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.18 +/- 2.25   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.31 +/- 0.11  99.991% * 97.8296% (1.00  10.0 10.00   6.21 315.01) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.61 +/- 1.39   0.005% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  22.28 +/- 1.79   0.000% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  13.96 +/- 1.99   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.86 +/- 2.01   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.25 +/- 1.45   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  28.49 +/- 1.83   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.18 +/- 2.25   0.000% *  0.0194% (0.20   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 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.97 +/- 0.25  99.989% * 99.8490% (1.00  10.0 10.00   5.62 315.01) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  14.36 +/- 1.93   0.011% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  26.42 +/- 1.89   0.000% *  0.0565% (0.57   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 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.0:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.36 +/- 0.30  99.983% * 99.8218% (1.00  10.0 10.00   7.31 315.01) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.32 +/- 2.33   0.016% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  20.88 +/- 1.40   0.000% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  17.90 +/- 1.85   0.001% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.0:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.98 +/- 0.06  89.490% * 98.2440% (1.00  10.0 10.00   7.29 315.01) =  99.993%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.88 +/- 1.08   9.840% *  0.0556% (0.57   1.0  1.00   0.02   2.33) =   0.006%
        T HB    ILE   19 - HG2   LYS+  74   8.02 +/- 1.03   0.397% *  0.0511% (0.05   1.0 10.00   0.02   8.51) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  10.74 +/- 1.60   0.066% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.04 +/- 1.59   0.119% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.43 +/- 1.26   0.012% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.02 +/- 1.37   0.011% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.17 +/- 1.02   0.040% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  21.28 +/- 1.70   0.001% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  27.28 +/- 1.37   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  15.31 +/- 1.92   0.007% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.74 +/- 1.67   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.92 +/- 0.80   0.004% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  15.16 +/- 1.47   0.007% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.21 +/- 2.10   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.92 +/- 1.22   0.003% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  23.61 +/- 2.26   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  28.03 +/- 1.63   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  28.81 +/- 1.46   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.54 +/- 1.42   0.004% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  32.42 +/- 1.58   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.48 +/- 1.83   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.80 +/- 1.58   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  21.27 +/- 1.16   0.001% *  0.0029% (0.03   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 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.0:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.895% * 98.9181% (1.00  10.0 10.00   6.98 315.01) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   6.27 +/- 0.84   0.065% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   9.05 +/- 1.35   0.012% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74   8.79 +/- 1.37   0.010% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.83 +/- 1.18   0.002% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   8.34 +/- 0.93   0.011% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.93 +/- 1.38   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  14.48 +/- 1.22   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.99 +/- 1.50   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  13.73 +/- 1.57   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  15.96 +/- 1.17   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  18.90 +/- 1.07   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  11.34 +/- 1.13   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  21.90 +/- 2.11   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  21.20 +/- 0.96   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.20 +/- 1.25   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.49 +/- 0.87   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.22 +/- 2.00   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74  13.44 +/- 1.58   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  13.89 +/- 0.81   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.41 +/- 1.95   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.77 +/- 1.90   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  16.56 +/- 1.22   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  28.42 +/- 1.73   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  18.84 +/- 1.21   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.61 +/- 1.94   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 = 315.0:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.78 +/- 0.16  97.533% * 96.7411% (1.00  10.0 10.00   5.40 315.01) =  99.999%  kept
          HB3   MET   92 - HG3   LYS+ 111   8.77 +/- 1.89   0.448% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.40 +/- 2.51   0.049% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 111   7.68 +/- 1.23   0.370% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74   7.88 +/- 1.60   0.802% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.49 +/- 0.64   0.760% *  0.0093% (0.10   1.0  1.00   0.02  40.10) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.19 +/- 1.79   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.48 +/- 2.18   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  16.08 +/- 1.56   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.62 +/- 1.19   0.002% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.61 +/- 1.88   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.62 +/- 1.18   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.38 +/- 1.40   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.06 +/- 1.17   0.019% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  22.99 +/- 1.36   0.000% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  16.43 +/- 1.96   0.003% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  15.58 +/- 1.66   0.004% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.91 +/- 2.00   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  20.08 +/- 1.04   0.001% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  25.34 +/- 1.71   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.27 +/- 1.82   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  20.13 +/- 1.45   0.001% *  0.0093% (0.10   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 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.893, support = 5.41, residual support = 300.1:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.08  40.053% * 89.7666% (1.00  10.0 10.00   5.40 315.01) =  88.287%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.72 +/- 0.23  59.523% *  8.0133% (0.09  10.0 10.00   5.54 187.65) =  11.712%  kept
        T QD    LYS+  65 - HG2   LYS+  74   7.88 +/- 1.60   0.363% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.94 +/- 1.40   0.011% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  13.41 +/- 1.38   0.005% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74  10.04 +/- 1.04   0.028% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  22.11 +/- 1.53   0.000% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.61 +/- 1.88   0.000% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.55 +/- 1.64   0.003% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.56 +/- 1.49   0.000% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.81 +/- 1.27   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.06 +/- 1.17   0.009% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  23.57 +/- 1.74   0.000% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.27 +/- 1.82   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  20.53 +/- 1.72   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  17.47 +/- 1.23   0.001% *  0.0027% (0.03   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 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.0:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.12 +/- 0.36  99.844% * 99.7265% (1.00  10.0 10.00   5.44 315.01) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   7.49 +/- 0.96   0.124% *  0.0060% (0.06   1.0  1.00   0.02   8.77) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   9.65 +/- 1.02   0.029% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  14.26 +/- 1.36   0.003% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  21.02 +/- 1.25   0.000% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  26.48 +/- 1.32   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.09 +/- 0.37  99.963% * 99.4172% (1.00 10.00   6.21 315.01) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  13.05 +/- 1.83   0.029% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.36 +/- 1.74   0.002% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.93 +/- 1.41   0.001% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.49 +/- 1.50   0.004% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.83 +/- 1.28   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.45 +/- 1.99   0.000% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.22 +/- 1.27   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 315.0:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.26 +/- 0.39  72.919% * 97.9440% (1.00  10.0 10.00   6.62 315.01) =  99.998%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.72 +/- 0.83   1.289% *  0.0555% (0.57   1.0  1.00   0.02   2.33) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   3.38 +/- 1.26  25.290% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   7.84 +/- 2.08   0.251% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  10.24 +/- 1.52   0.055% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   8.35 +/- 1.80   0.095% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.60 +/- 1.60   0.046% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  14.84 +/- 2.30   0.003% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  17.39 +/- 1.52   0.001% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  12.54 +/- 1.65   0.006% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.58 +/- 1.54   0.011% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.49 +/- 1.97   0.000% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  11.65 +/- 1.78   0.009% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  13.19 +/- 1.00   0.003% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.49 +/- 0.79   0.002% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.73 +/- 1.85   0.000% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.67 +/- 1.19   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.34 +/- 0.92   0.005% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  18.27 +/- 1.57   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.78 +/- 1.61   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  15.83 +/- 1.60   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.00 +/- 1.09   0.001% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  16.02 +/- 1.45   0.001% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  21.61 +/- 2.01   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.09 +/- 2.27   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.51 +/- 1.10   0.000% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.27 +/- 2.02   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.57 +/- 1.72   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  18.93 +/- 2.82   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  15.43 +/- 0.70   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  17.24 +/- 1.35   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  15.66 +/- 2.11   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  21.85 +/- 1.37   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  23.62 +/- 2.26   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.66 +/- 0.75   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.57 +/- 1.90   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  21.10 +/- 1.68   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  28.74 +/- 1.38   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  29.26 +/- 1.36   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  20.16 +/- 1.71   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  28.29 +/- 1.05   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.31 +/- 0.63   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  33.88 +/- 1.27   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  20.82 +/- 1.10   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.55 +/- 1.83   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.58 +/- 1.02   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  28.84 +/- 1.52   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.03 +/- 1.44   0.000% *  0.0016% (0.02   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 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.831, support = 6.12, residual support = 298.2:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.94 +/- 0.04  21.378% * 90.8110% (1.00  10.0 10.00   6.21 315.01) =  81.967%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.35 +/- 0.17  78.036% *  5.4729% (0.06  10.0 10.00   5.75 221.86) =  18.032%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.53 +/- 1.11   0.266% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - QD    LYS+ 102   9.13 +/- 1.30   0.035% *  0.2129% (0.23   1.0 10.00   0.02   1.68) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.61 +/- 1.14   0.017% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  11.69 +/- 1.62   0.007% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.98 +/- 0.90   0.085% *  0.0116% (0.13   1.0  1.00   0.02   1.53) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.26 +/- 1.25   0.088% *  0.0106% (0.12   1.0  1.00   0.02   2.24) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65   9.18 +/- 1.17   0.040% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  12.73 +/- 1.93   0.006% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  20.61 +/- 2.69   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.73 +/- 1.93   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.61 +/- 1.06   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  13.63 +/- 2.37   0.005% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.52 +/- 0.95   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  17.12 +/- 1.20   0.001% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  15.68 +/- 0.97   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.09 +/- 0.96   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 2.01   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.44 +/- 1.49   0.003% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.23 +/- 0.92   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  15.17 +/- 1.26   0.001% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  17.39 +/- 1.04   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.66 +/- 1.06   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.28 +/- 1.45   0.006% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.71 +/- 0.84   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.81 +/- 1.92   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.84 +/- 1.62   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.63 +/- 1.27   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.22 +/- 1.36   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.11 +/- 1.49   0.001% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.32 +/- 1.05   0.002% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  18.95 +/- 1.70   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.76 +/- 1.83   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  18.02 +/- 2.33   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  16.06 +/- 2.65   0.002% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  25.03 +/- 1.69   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.73 +/- 1.11   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.71 +/- 1.15   0.001% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  16.46 +/- 1.91   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  19.77 +/- 1.52   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.19 +/- 2.60   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  29.37 +/- 1.61   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.03 +/- 1.34   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.12 +/- 0.97   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 1.03   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.45 +/- 0.88   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.66 +/- 1.55   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  20.17 +/- 2.01   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  20.00 +/- 1.35   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  19.79 +/- 1.15   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.69 +/- 0.79   0.000% *  0.0021% (0.02   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 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.0:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.78 +/- 0.16  97.779% * 98.1177% (1.00  10.0 10.00   5.40 315.01) =  99.999%  kept
        T HG2   LYS+  74 - QD    LYS+  65   7.88 +/- 1.60   0.796% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.53 +/- 1.60   0.262% *  0.0875% (0.09   1.0 10.00   0.02   1.68) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   6.75 +/- 1.29   0.780% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.46 +/- 1.35   0.214% *  0.0368% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  17.38 +/- 1.69   0.002% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.14 +/- 1.66   0.052% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.18 +/- 1.58   0.021% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.48 +/- 2.18   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.23 +/- 2.03   0.005% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  22.99 +/- 1.36   0.000% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.61 +/- 1.88   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.84 +/- 1.04   0.036% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.60 +/- 1.97   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.44 +/- 0.99   0.023% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.24 +/- 1.36   0.012% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.38 +/- 1.40   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.40 +/- 0.99   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.59 +/- 1.30   0.003% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  16.74 +/- 1.00   0.002% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  20.08 +/- 1.04   0.001% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.01 +/- 1.17   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.25 +/- 1.90   0.002% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.91 +/- 2.00   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  15.32 +/- 1.20   0.004% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  19.53 +/- 1.30   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  28.07 +/- 1.43   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  21.50 +/- 1.69   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  28.93 +/- 1.40   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.46 +/- 1.58   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  29.44 +/- 1.32   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.57 +/- 1.49   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.15 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 = 315.0:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.23 +/- 0.09  99.992% * 99.2899% (1.00  10.0 10.00   4.97 315.01) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  15.80 +/- 0.97   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.23 +/- 1.64   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.59 +/- 1.55   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  13.85 +/- 1.37   0.002% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.28 +/- 1.54   0.003% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.30 +/- 1.55   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.09 +/- 1.34   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.05 +/- 1.57   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  27.78 +/- 1.15   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.04 +/- 0.82   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.42 +/- 0.87   0.000% *  0.0071% (0.07   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 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.14 +/- 0.31  99.846% * 98.7339% (1.00 10.00   6.21 315.01) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.79 +/- 2.10   0.119% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.36 +/- 1.74   0.012% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  28.42 +/- 1.00   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.49 +/- 1.50   0.022% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  28.27 +/- 1.52   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 314.8:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.03 +/- 0.26  73.788% * 96.6565% (1.00  10.0 10.00   6.62 315.01) =  99.935%  kept
        T HG3   GLN   30 - QD    LYS+  33   5.07 +/- 1.08   8.914% *  0.4216% (0.44   1.0 10.00   0.02   0.29) =   0.053%
          QB    GLU-  15 - QD    LYS+  33   6.52 +/- 1.71   4.824% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - HD3   LYS+ 111   5.16 +/- 1.20   5.586% *  0.0547% (0.57   1.0  1.00   0.02   2.33) =   0.004%
          HB    ILE   19 - QD    LYS+  33   6.43 +/- 1.27   1.894% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   30 - QD    LYS+  33   5.79 +/- 0.85   2.839% *  0.0193% (0.20   1.0  1.00   0.02   0.29) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   7.84 +/- 2.08   1.704% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  33  10.36 +/- 1.55   0.070% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65  10.24 +/- 1.52   0.117% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.65 +/- 1.17   0.018% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  14.84 +/- 2.30   0.010% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65  10.60 +/- 1.60   0.097% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  15.34 +/- 2.21   0.009% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65  12.54 +/- 1.65   0.024% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.58 +/- 1.54   0.041% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  12.72 +/- 1.37   0.018% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.73 +/- 1.85   0.001% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.73 +/- 1.75   0.006% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  14.09 +/- 1.22   0.008% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.95 +/- 1.43   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.34 +/- 0.92   0.019% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.00 +/- 1.09   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  30.06 +/- 2.02   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.57 +/- 1.72   0.006% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.29 +/- 1.34   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  25.93 +/- 2.45   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  21.10 +/- 1.68   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  24.26 +/- 2.65   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.63 +/- 1.67   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  29.37 +/- 1.58   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  29.67 +/- 1.80   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  28.70 +/- 1.55   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  21.58 +/- 1.02   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  34.00 +/- 1.77   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.50 +/- 2.42   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  29.05 +/- 1.98   0.000% *  0.0215% (0.22   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 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.0:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.31 +/- 0.11  99.748% * 96.9774% (1.00  10.0 10.00   6.21 315.01) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.34 +/- 0.54   0.054% *  0.0861% (0.89   1.0  1.00   0.02   0.69) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   7.98 +/- 0.90   0.090% *  0.0201% (0.21   1.0  1.00   0.02   1.53) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33  10.04 +/- 0.55   0.016% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65   9.18 +/- 1.17   0.042% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.24 +/- 1.34   0.015% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.47 +/- 1.30   0.003% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.85 +/- 1.25   0.004% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.68 +/- 0.95   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.52 +/- 0.95   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.98 +/- 1.04   0.001% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.86 +/- 2.01   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  15.37 +/- 1.17   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.86 +/- 1.37   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.32 +/- 1.35   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.44 +/- 1.49   0.004% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  17.68 +/- 1.56   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.66 +/- 1.06   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  28.49 +/- 1.83   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.70 +/- 2.18   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  12.28 +/- 1.45   0.006% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  16.63 +/- 0.76   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.44 +/- 1.48   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  17.43 +/- 1.20   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  17.11 +/- 1.49   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  14.32 +/- 1.05   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.21 +/- 0.99   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.24 +/- 1.18   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.77 +/- 2.47   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  19.63 +/- 0.62   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  15.73 +/- 1.11   0.001% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  16.71 +/- 1.15   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.80 +/- 2.49   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  19.77 +/- 1.52   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  25.19 +/- 1.92   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.86 +/- 1.01   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  19.71 +/- 1.03   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  29.36 +/- 2.19   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.84 +/- 2.53   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.0:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.92 +/- 0.08  87.225% * 97.4498% (1.00  10.0 10.00   5.40 315.01) =  99.995%  kept
          HG    LEU   71 - QD    LYS+  33   5.96 +/- 1.64   6.021% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.003%
        T HG2   LYS+  74 - QD    LYS+  65   7.88 +/- 1.60   0.946% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   6.53 +/- 1.64   2.035% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HG13  ILE   19 - QD    LYS+  33   6.18 +/- 1.63   3.548% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.70 +/- 1.34   0.103% *  0.0366% (0.38   1.0  1.00   0.02  28.08) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  13.41 +/- 1.38   0.011% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.14 +/- 1.66   0.058% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  17.29 +/- 1.94   0.003% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.18 +/- 1.58   0.023% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  14.44 +/- 1.27   0.007% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.61 +/- 1.88   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  23.57 +/- 1.74   0.000% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.24 +/- 1.36   0.013% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  19.40 +/- 0.99   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  28.81 +/- 1.27   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  19.86 +/- 0.99   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  19.01 +/- 1.17   0.001% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  17.25 +/- 1.90   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.63 +/- 2.55   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  28.47 +/- 1.94   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  29.30 +/- 1.83   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  29.34 +/- 2.00   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  29.90 +/- 1.74   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 315.0:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.09  99.935% * 98.5534% (1.00  10.0 10.00   4.97 315.01) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.33 +/- 1.05   0.050% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  16.10 +/- 1.39   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.59 +/- 1.55   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  13.85 +/- 1.37   0.005% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  13.28 +/- 1.54   0.007% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  27.14 +/- 1.10   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.40 +/- 0.95   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  28.12 +/- 1.60   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.98 +/- 0.18  99.924% * 99.9354% (1.00 10.00   5.62 315.01) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  10.88 +/- 2.14   0.076% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.0:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.62 +/- 0.43  90.915% * 98.9314% (1.00 10.00   6.06 315.01) =  99.994%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.47 +/- 0.81   9.027% *  0.0560% (0.57  1.00   0.02   2.33) =   0.006%
          HB    ILE  119 - QE    LYS+ 111  12.94 +/- 1.20   0.051% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  27.30 +/- 1.10   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.71 +/- 1.91   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.28 +/- 2.08   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  26.52 +/- 1.32   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  27.03 +/- 1.04   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  25.99 +/- 0.72   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  30.56 +/- 0.97   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.72 +/- 1.57   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  26.46 +/- 1.15   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.0:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.97 +/- 0.25  99.827% * 99.2615% (1.00  10.0 10.00   5.62 315.01) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.66 +/- 0.99   0.127% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  13.95 +/- 0.70   0.011% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.74 +/- 0.97   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.92 +/- 1.04   0.005% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.53 +/- 1.22   0.014% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  15.48 +/- 0.95   0.006% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.71 +/- 1.13   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.56 +/- 1.32   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.53 +/- 1.53   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.39 +/- 1.63   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  26.96 +/- 1.18   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.56 +/- 1.53   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.0:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.12 +/- 0.36  99.618% * 99.3524% (1.00  10.0 10.00   5.44 315.01) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.74 +/- 1.30   0.380% *  0.0373% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.70 +/- 1.23   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  21.02 +/- 1.25   0.000% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.28 +/- 1.78   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  26.06 +/- 1.07   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  26.84 +/- 1.01   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  27.08 +/- 0.89   0.000% *  0.0197% (0.20   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 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.23 +/- 0.09  99.848% * 98.3525% (1.00  10.0 10.00   4.97 315.01) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 111   9.12 +/- 1.82   0.091% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   8.27 +/- 0.99   0.049% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.33 +/- 1.86   0.010% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.23 +/- 1.64   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.41 +/- 1.23   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.59 +/- 1.55   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.99 +/- 1.56   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.05 +/- 1.57   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  24.29 +/- 0.96   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.49 +/- 1.47   0.000% *  0.0195% (0.20   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 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.0:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.53 +/- 0.09  99.980% * 98.5544% (1.00  10.0 10.00   4.97 315.01) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.67 +/- 1.14   0.013% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.59 +/- 1.55   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.04 +/- 1.48   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.20 +/- 1.28   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  27.14 +/- 1.10   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  21.32 +/- 1.22   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.49 +/- 1.47   0.000% *  0.0195% (0.20   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 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   2.81 +/- 0.15  99.585% * 98.3538% (1.00  10.0 10.00   6.00 231.85) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   7.91 +/- 1.29   0.387% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  16.89 +/- 0.96   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.60 +/- 0.63   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  17.56 +/- 1.46   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.47 +/- 1.19   0.010% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.84 +/- 1.04   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.66 +/- 0.91   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  23.50 +/- 1.57   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.71 +/- 1.03   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  19.06 +/- 0.77   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  25.14 +/- 1.23   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  29.62 +/- 1.07   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  29.92 +/- 2.83   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.07 +/- 0.63  99.858% * 99.8441% (1.00  10.0 10.00   6.08 231.85) = 100.000%  kept
          QB    ALA   47 - HA    LYS+ 112  11.70 +/- 1.04   0.105% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HA    LYS+ 112  12.55 +/- 0.85   0.037% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 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   2.89 +/- 0.67  99.806% * 99.8009% (1.00  10.0 10.00   5.76 231.85) = 100.000%  kept
          QG2   VAL  108 - HA    LYS+ 112   9.84 +/- 0.83   0.137% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LYS+ 112  11.84 +/- 1.32   0.052% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.37 +/- 0.77   0.004% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.91 +/- 1.18   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.807, support = 6.09, residual support = 231.9:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.66 +/- 0.26  84.831% * 43.2573% (0.76  10.0 10.00   6.24 231.85) =  81.690%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.13 +/- 0.76  14.531% * 56.6026% (1.00   1.0 10.00   5.41 231.85) =  18.310%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.29 +/- 0.65   0.621% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  11.46 +/- 0.96   0.016% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.50 +/- 1.59   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  24.66 +/- 0.74   0.000% *  0.0561% (0.99   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 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   2.81 +/- 0.15  99.682% * 98.8850% (1.00  10.0 10.00   6.00 231.85) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   8.28 +/- 1.43   0.298% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.89 +/- 0.96   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.06 +/- 1.04   0.012% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.03 +/- 1.39   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.42 +/- 1.83   0.003% *  0.0640% (0.65   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 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 = 0.78, support = 4.86, residual support = 126.0:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  80.406% * 40.6012% (0.70  10.0 10.00   4.21  89.39) =  74.295%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.74 +/- 0.26  19.590% * 57.6594% (1.00  10.0 10.00   6.74 231.85) =  25.705%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.89 +/- 1.46   0.002% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.55 +/- 0.91   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.84 +/- 0.51   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  19.06 +/- 1.56   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 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   2.74 +/- 0.28  98.963% * 98.8037% (1.00  10.0 10.00   5.76 231.85) =  99.999%  kept
          HG    LEU   63 - HB    VAL   42   6.63 +/- 1.29   0.829% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   8.43 +/- 0.85   0.143% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  19.10 +/- 1.19   0.001% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.41 +/- 0.72   0.022% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  11.35 +/- 1.20   0.027% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  14.10 +/- 1.37   0.008% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  14.21 +/- 0.73   0.006% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.45 +/- 0.72   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.77 +/- 1.38   0.000% *  0.0599% (0.61   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 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.777, support = 6.23, residual support = 231.9:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  95.724% * 42.8460% (0.76  10.0 10.00   6.24 231.85) =  94.555%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.29 +/- 0.57   4.213% * 56.0644% (1.00  10.0 10.00   6.10 231.85) =   5.445%  kept
          HG3   LYS+ 111 - HB2   LYS+ 112   6.67 +/- 0.79   0.051% *  0.0210% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          HB3   LEU   71 - HB    VAL   42   8.62 +/- 0.66   0.008% *  0.0468% (0.84   1.0  1.00   0.02   2.24) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.99 +/- 0.56   0.003% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  13.23 +/- 1.09   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.77 +/- 1.43   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.17 +/- 1.17   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.34 +/- 1.29   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  19.22 +/- 1.69   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.55 +/- 1.79   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  26.94 +/- 0.98   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   3.07 +/- 0.63  99.987% * 99.8459% (1.00  10.0 10.00   6.08 231.85) = 100.000%  kept
          HB2   HIS  122 - HG2   LYS+ 112  16.70 +/- 1.93   0.006% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HG2   LYS+ 112  15.96 +/- 1.99   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 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 +/- 0.26  99.886% * 98.3538% (1.00  10.0 10.00   6.74 231.85) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   9.85 +/- 1.64   0.099% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  19.06 +/- 1.56   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  17.10 +/- 1.02   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  18.55 +/- 2.14   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  15.41 +/- 1.96   0.006% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  18.50 +/- 1.26   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.45 +/- 1.32   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  25.51 +/- 2.21   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  21.26 +/- 1.12   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  22.18 +/- 1.47   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.61 +/- 1.58   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  31.78 +/- 1.81   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  31.10 +/- 3.54   0.000% *  0.0517% (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 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  99.998% * 99.8009% (1.00  10.0 10.00   6.98 231.85) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  13.61 +/- 2.02   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.87 +/- 1.20   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.74 +/- 1.13   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  24.73 +/- 1.62   0.000% *  0.0605% (0.61   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 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.87, support = 6.78, residual support = 231.9:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.61 +/- 0.26  61.385% * 43.2573% (0.76  10.0 10.00   6.99 231.85) =  54.938%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.85 +/- 0.25  38.479% * 56.6026% (1.00  10.0 10.00   6.52 231.85) =  45.062%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.71 +/- 0.88   0.132% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  13.43 +/- 1.08   0.005% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  19.76 +/- 1.59   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  26.56 +/- 1.52   0.000% *  0.0561% (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 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   2.89 +/- 0.67  99.988% * 99.8459% (1.00  10.0 10.00   5.76 231.85) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  15.76 +/- 1.47   0.008% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  16.96 +/- 1.64   0.004% *  0.0895% (0.90   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 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   2.74 +/- 0.28  99.861% * 98.3538% (1.00  10.0 10.00   5.76 231.85) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.49 +/- 1.35   0.125% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  19.10 +/- 1.19   0.001% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.89 +/- 0.80   0.002% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  18.75 +/- 1.90   0.001% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  18.12 +/- 0.89   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  15.33 +/- 1.23   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.81 +/- 1.18   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  25.42 +/- 1.86   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  21.17 +/- 0.94   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.05 +/- 1.24   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.48 +/- 1.27   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  31.77 +/- 1.47   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  31.24 +/- 2.67   0.000% *  0.0517% (0.53   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 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   6.98 231.85) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  12.31 +/- 0.94   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  14.40 +/- 0.92   0.000% *  0.0834% (0.84   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 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 = 0.938, support = 5.68, residual support = 231.9:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.44 +/- 0.12  67.888% * 56.6026% (1.00  10.0 10.00   5.55 231.85) =  73.591%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.80 +/- 0.23  31.878% * 43.2573% (0.76  10.0  1.00   6.04 231.85) =  26.408%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.05 +/- 0.86   0.230% *  0.0212% (0.38   1.0  1.00   0.02  28.08) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  13.08 +/- 0.68   0.003% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.32 +/- 1.40   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  26.68 +/- 1.05   0.000% *  0.0561% (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 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   4.13 +/- 0.76  99.933% * 99.8459% (1.00 10.00   5.41 231.85) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  16.26 +/- 1.34   0.042% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.24 +/- 2.28   0.025% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 231.9:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.29 +/- 0.57  99.760% * 98.3538% (1.00  10.0 10.00   6.10 231.85) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.51 +/- 1.42   0.195% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  19.77 +/- 1.43   0.004% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  18.71 +/- 2.16   0.007% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.16 +/- 1.31   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.97 +/- 1.23   0.013% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.74 +/- 1.56   0.007% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.03 +/- 1.05   0.004% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  26.02 +/- 1.90   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  22.07 +/- 1.32   0.002% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  23.05 +/- 1.66   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.59 +/- 1.61   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  32.41 +/- 1.85   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  31.32 +/- 2.34   0.000% *  0.0517% (0.53   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 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   2.85 +/- 0.25  99.977% * 99.8441% (1.00  10.0 10.00   6.52 231.85) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  12.88 +/- 1.12   0.017% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  15.02 +/- 1.24   0.006% *  0.0834% (0.84   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 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   2.44 +/- 0.12  99.990% * 99.8009% (1.00  10.0 10.00   5.55 231.85) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  14.19 +/- 1.87   0.003% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.72 +/- 1.19   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.71 +/- 1.51   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  25.28 +/- 1.31   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T QB    ASP- 113 - HA    ASP- 113   2.46 +/- 0.09 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.18) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.2:
    * O T HA    ASP- 113 - QB    ASP- 113   2.46 +/- 0.09  99.969% * 99.1713% (1.00  10.0 10.00   2.00  14.18) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  12.39 +/- 0.91   0.007% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.62 +/- 1.27   0.022% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.10 +/- 0.49   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.29 +/- 1.12   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.24 +/- 1.29   0.000% *  0.0681% (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 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 = 0.921, support = 3.26, residual support = 50.1:
    * O T QB    GLU- 114 - HA    GLU- 114   2.36 +/- 0.13  66.501% * 63.8790% (0.97  10.0 10.00   3.12  43.78) =  94.158%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.74 +/- 0.14  28.252% *  6.0284% (0.09  10.0 10.00   6.11 227.80) =   3.775%  kept
        T QB    GLU- 114 - HA    LEU  115   4.04 +/- 0.33   3.167% * 29.3979% (0.44   1.0 10.00   4.44  14.57) =   2.064%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.93 +/- 0.99   1.541% *  0.0481% (0.73   1.0  1.00   0.02   2.33) =   0.002%
        T HB2   LEU  115 - HA    GLU- 114   5.66 +/- 0.23   0.368% *  0.1310% (0.20   1.0 10.00   0.02  14.57) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.92 +/- 1.16   0.155% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.67 +/- 1.53   0.012% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  15.50 +/- 1.89   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  17.97 +/- 2.26   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.63 +/- 1.61   0.002% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.04 +/- 1.61   0.001% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  19.68 +/- 2.02   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.73 +/- 0.65   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  20.45 +/- 1.21   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.26 +/- 0.94   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.13 +/- 1.18   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.61 +/- 1.25   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  22.01 +/- 0.81   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  31.48 +/- 1.08   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.35 +/- 0.77   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  25.86 +/- 1.73   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.67 +/- 1.44   0.000% *  0.0041% (0.06   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 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.945, support = 3.42, residual support = 40.9:
    * O T QG    GLU- 114 - HA    GLU- 114   2.84 +/- 0.39  80.990% * 68.1764% (1.00  10.0 10.00   3.31  43.78) =  90.273%  kept
        T QG    GLU- 114 - HA    LEU  115   4.93 +/- 1.24  18.963% * 31.3756% (0.46   1.0 10.00   4.39  14.57) =   9.727%  kept
          HG2   MET   92 - HA    LEU  115  12.30 +/- 1.96   0.023% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU- 114  13.95 +/- 2.20   0.010% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.01 +/- 0.97   0.010% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.65 +/- 1.39   0.003% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  20.31 +/- 0.85   0.001% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  24.04 +/- 0.77   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.21 +/- 1.67   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.04 +/- 1.30   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.07 +/- 1.11   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  30.09 +/- 0.84   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  34.21 +/- 2.55   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  31.32 +/- 2.59   0.000% *  0.0107% (0.16   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 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.955, support = 3.17, residual support = 42.8:
    * O T HA    GLU- 114 - QB    GLU- 114   2.36 +/- 0.13  95.179% * 59.0968% (0.97  10.0 10.00   3.12  43.78) =  96.654%  kept
        T HA    LEU  115 - QB    GLU- 114   4.04 +/- 0.33   4.796% * 40.5940% (0.66   1.0 10.00   4.44  14.57) =   3.346%  kept
        T HA    ARG+  54 - QB    GLU- 114  13.55 +/- 1.28   0.004% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    GLU- 114  10.65 +/- 1.46   0.020% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  18.89 +/- 0.85   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.79 +/- 1.12   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.94 +/- 1.26   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.32 +/- 0.98   0.000% *  0.0494% (0.81   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 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 = 3.5, residual support = 43.8:
    * O T QG    GLU- 114 - QB    GLU- 114   2.08 +/- 0.05  99.978% * 99.1187% (0.96  10.0 10.00   3.50  43.78) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  10.38 +/- 2.16   0.018% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.12 +/- 1.47   0.003% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  19.92 +/- 0.88   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.13 +/- 1.10   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.60 +/- 1.32   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.59 +/- 2.08   0.000% *  0.0339% (0.33   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 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.955, support = 3.46, residual support = 39.7:
    * O T HA    GLU- 114 - QG    GLU- 114   2.84 +/- 0.39  81.000% * 59.1519% (1.00  10.0 10.00   3.31  43.78) =  86.155%  kept
        T HA    LEU  115 - QG    GLU- 114   4.93 +/- 1.24  18.950% * 40.6319% (0.69   1.0 10.00   4.39  14.57) =  13.845%  kept
          HA    CYS   53 - QG    GLU- 114  11.10 +/- 1.62   0.042% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  14.01 +/- 1.35   0.007% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.32 +/- 1.01   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.49 +/- 1.26   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.52 +/- 1.34   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  25.98 +/- 1.04   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.958, support = 3.45, residual support = 42.9:
    * O T QB    GLU- 114 - QG    GLU- 114   2.08 +/- 0.05  63.514% * 94.8366% (0.96  10.0 10.00   3.50  43.78) =  97.931%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.88 +/- 1.17  33.423% *  3.8054% (0.72   1.0  1.00   1.07   2.33) =   2.068%  kept
          HB2   LEU  115 - QG    GLU- 114   5.02 +/- 1.23   3.061% *  0.0194% (0.20   1.0  1.00   0.02  14.57) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  13.29 +/- 2.03   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  17.67 +/- 2.06   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  27.32 +/- 1.35   0.000% *  0.9296% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.17 +/- 1.82   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  21.78 +/- 1.26   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.30 +/- 1.62   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  22.75 +/- 1.35   0.000% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.05 +/- 1.44   0.000% *  0.0133% (0.14   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 1456 (2.31, 2.31, 37.32 ppm):
    1 diagonal assignment:
    *     QG    GLU- 114 - QG    GLU- 114  (1.00)  kept
 
    Peak 1457 (4.12, 4.12, 59.41 ppm):
    3 diagonal assignments:
    *     HA    LEU  115 - HA    LEU  115  (0.70)  kept
          HA    ARG+  54 - HA    ARG+  54  (0.43)  kept
          HA    GLU- 114 - HA    GLU- 114  (0.08)  kept
 
    Peak 1458 (1.98, 4.12, 59.41 ppm):
    24 chemical-shift based assignments, quality = 0.629, support = 5.49, residual support = 190.1:
    * O T HB2   LEU  115 - HA    LEU  115   2.74 +/- 0.14  22.004% * 63.8902% (0.84  10.0 10.00   6.11 227.80) =  71.458%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.36 +/- 0.13  50.590% *  5.3954% (0.07  10.0 10.00   3.12  43.78) =  13.874%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.74 +/- 0.30  24.225% *  9.9598% (0.13  10.0  1.00   4.76 170.24) =  12.264%  kept
        T QB    GLU- 114 - HA    LEU  115   4.04 +/- 0.33   2.395% * 19.7195% (0.26   1.0 10.00   4.44  14.57) =   2.400%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.66 +/- 0.23   0.278% *  0.1748% (0.23   1.0 10.00   0.02  14.57) =   0.002%
          HG3   PRO   58 - HA    ARG+  54   6.33 +/- 1.53   0.483% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    ARG+  54  11.27 +/- 0.84   0.005% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.67 +/- 1.53   0.010% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.55 +/- 1.28   0.002% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.43 +/- 1.43   0.002% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.05 +/- 1.37   0.002% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  15.50 +/- 1.89   0.001% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.63 +/- 1.61   0.001% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.50 +/- 1.13   0.000% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  16.71 +/- 1.82   0.001% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  19.04 +/- 1.59   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  18.63 +/- 1.63   0.000% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  17.97 +/- 2.26   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  20.73 +/- 0.65   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.09 +/- 1.30   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.41 +/- 1.21   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.57 +/- 1.55   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  23.07 +/- 1.46   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  24.26 +/- 0.94   0.000% *  0.0066% (0.09   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 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.385, support = 6.25, residual support = 227.8:
      O T HB3   LEU  115 - HA    LEU  115   2.28 +/- 0.18  87.464% * 25.2077% (0.26  10.0 10.00   6.25 227.80) =  72.771%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.44 +/- 0.40  11.644% * 70.8443% (0.72  10.0 10.00   6.23 227.80) =  27.227%  kept
        T HG    LEU  115 - HA    GLU- 114   6.65 +/- 0.64   0.178% *  0.1938% (0.20   1.0 10.00   0.02  14.57) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.32 +/- 0.26   0.202% *  0.0690% (0.07   1.0 10.00   0.02  14.57) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.32 +/- 0.46   0.083% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.22 +/- 1.26   0.008% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.23 +/- 0.47   0.094% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   7.90 +/- 1.43   0.077% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.11 +/- 1.10   0.008% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   7.62 +/- 2.32   0.230% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.09 +/- 2.49   0.003% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  16.47 +/- 0.84   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  15.32 +/- 1.27   0.001% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.30 +/- 1.30   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.32 +/- 0.62   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.90 +/- 1.57   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.77 +/- 1.49   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.11 +/- 1.08   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  14.94 +/- 0.90   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  25.07 +/- 1.17   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.64 +/- 0.82   0.000% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  17.12 +/- 1.74   0.001% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  15.58 +/- 1.72   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  24.46 +/- 1.36   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.29 +/- 2.85   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.22 +/- 0.82   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  20.95 +/- 1.41   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  19.77 +/- 1.20   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.76 +/- 0.95   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.19 +/- 0.84   0.000% *  0.0062% (0.06   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 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.828, support = 6.09, residual support = 225.2:
    *   T QD1   LEU  115 - HA    LEU  115   3.87 +/- 0.22  93.600% * 78.0672% (0.84 10.00   6.11 227.80) =  98.764%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.73 +/- 0.56   4.242% * 21.3596% (0.23 10.00   4.47  14.57) =   1.225%  kept
        T QD1   LEU  115 - HA    ARG+  54   7.98 +/- 0.95   1.861% *  0.4377% (0.47 10.00   0.02   0.02) =   0.011%
          QG1   VAL   75 - HA    LEU  115  11.52 +/- 0.57   0.150% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  12.64 +/- 1.34   0.110% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  14.44 +/- 0.72   0.038% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.797, support = 7.31, residual support = 224.4:
    *   T QD2   LEU  115 - HA    LEU  115   3.33 +/- 0.49  85.070% * 77.6784% (0.81 10.00   7.36 227.80) =  98.431%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.79 +/- 0.45   4.922% * 21.2532% (0.22 10.00   4.46  14.57) =   1.558%  kept
          QD1   LEU   63 - HA    LEU  115   5.63 +/- 1.08   6.750% *  0.0761% (0.79  1.00   0.02   0.02) =   0.008%
        T QD2   LEU  115 - HA    ARG+  54   9.03 +/- 0.87   0.320% *  0.4355% (0.45 10.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU  115   6.77 +/- 1.20   2.165% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.85 +/- 1.09   0.323% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.45 +/- 1.21   0.083% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.29 +/- 0.84   0.046% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.49 +/- 1.34   0.218% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.36 +/- 0.93   0.040% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  16.65 +/- 0.90   0.006% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.55 +/- 1.11   0.026% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.93 +/- 1.26   0.004% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  17.72 +/- 1.41   0.005% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.27 +/- 1.61   0.006% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  18.72 +/- 1.29   0.003% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  19.37 +/- 1.17   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  18.72 +/- 1.79   0.004% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  21.59 +/- 0.96   0.001% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  20.64 +/- 1.37   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.48 +/- 1.57   0.003% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 1 structures by 0.37 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.11, residual support = 227.8:
    * O T HA    LEU  115 - HB2   LEU  115   2.74 +/- 0.14  98.603% * 98.0930% (0.84  10.0 10.00   6.11 227.80) =  99.994%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.66 +/- 0.23   1.370% *  0.4006% (0.34   1.0 10.00   0.02  14.57) =   0.006%
        T HA    ARG+  54 - HB2   LEU  115  11.27 +/- 0.84   0.024% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  18.10 +/- 0.80   0.001% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.13 +/- 1.25   0.001% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.91 +/- 1.28   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.12 +/- 1.28   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.71 +/- 1.12   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.84 +/- 1.07   0.000% *  0.0362% (0.31   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 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 = 0.407, support = 6.16, residual support = 227.8:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  92.906% * 25.8976% (0.31  10.0 10.00   6.14 227.80) =  82.355%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.77 +/- 0.26   7.083% * 72.7830% (0.87  10.0 10.00   6.24 227.80) =  17.645%  kept
          QB    ALA  120 - HB2   LEU  115   8.59 +/- 0.74   0.008% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.22 +/- 1.36   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.87 +/- 1.06   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  17.74 +/- 1.39   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.99 +/- 2.27   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.90 +/- 1.31   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  18.56 +/- 1.09   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  21.38 +/- 0.90   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.8:
    * O T QD1   LEU  115 - HB2   LEU  115   2.46 +/- 0.26  99.991% * 99.9055% (1.00  10.0 10.00   6.00 227.80) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  12.22 +/- 0.92   0.009% *  0.0945% (0.95   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 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T QD2   LEU  115 - HB2   LEU  115   2.61 +/- 0.52  99.241% * 99.5578% (0.97  10.0 10.00   7.24 227.80) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   7.09 +/- 1.17   0.567% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   LEU  115   8.54 +/- 1.19   0.181% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.38 +/- 0.82   0.006% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  17.86 +/- 0.94   0.002% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.61 +/- 1.32   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  18.10 +/- 1.73   0.002% *  0.0318% (0.31   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 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.22, residual support = 227.8:
    * O T HA    LEU  115 - HG    LEU  115   3.44 +/- 0.40  95.965% * 97.1402% (0.72  10.0 10.00   6.23 227.80) =  99.986%  kept
        T HA    GLU- 114 - HG    LEU  115   6.65 +/- 0.64   2.968% *  0.3967% (0.30   1.0 10.00   0.02  14.57) =   0.013%
        T HA    ARG+  54 - HG    LEU  115  11.22 +/- 1.26   0.119% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU   40   9.08 +/- 0.67   0.409% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.20 +/- 1.25   0.368% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  15.32 +/- 1.27   0.018% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  13.57 +/- 2.38   0.086% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.90 +/- 1.57   0.011% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.87 +/- 1.17   0.008% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  15.39 +/- 1.26   0.018% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  24.46 +/- 1.36   0.001% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.27 +/- 0.39   0.022% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  21.23 +/- 1.62   0.002% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.56 +/- 1.37   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  24.75 +/- 1.08   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.68 +/- 1.52   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  22.16 +/- 1.40   0.002% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  30.94 +/- 1.08   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.24, residual support = 227.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.77 +/- 0.26  97.648% * 98.2266% (0.87  10.0 10.00   6.24 227.80) =  99.998%  kept
        T HB2   LEU   67 - HG    LEU   40   8.55 +/- 1.72   0.294% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   5.94 +/- 0.65   1.352% *  0.0303% (0.27   1.0  1.00   0.02  14.57) =   0.000%
          HG3   PRO   58 - HG    LEU  115   8.55 +/- 1.80   0.328% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.59 +/- 1.78   0.009% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40   9.61 +/- 2.52   0.301% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  17.74 +/- 1.39   0.002% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.33 +/- 1.23   0.018% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  12.07 +/- 1.24   0.023% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.41 +/- 1.89   0.004% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  17.37 +/- 2.00   0.003% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.96 +/- 1.17   0.012% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.24 +/- 1.31   0.004% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  21.26 +/- 1.24   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  22.13 +/- 1.41   0.000% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  26.30 +/- 1.20   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.11, residual support = 227.8:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  99.994% * 99.5358% (0.87  10.0 10.00   6.11 227.80) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  15.55 +/- 1.32   0.001% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  12.79 +/- 1.04   0.002% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  12.32 +/- 1.09   0.003% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.32, residual support = 227.8:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.02  98.188% * 99.0740% (0.84  10.0 10.00   7.32 227.80) =  99.999%  kept
          QD1   LEU  104 - HG    LEU   40   4.71 +/- 0.84   1.537% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU  115   6.91 +/- 0.97   0.113% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU  115   8.21 +/- 1.07   0.035% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.42 +/- 1.22   0.084% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   9.04 +/- 1.48   0.032% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  15.03 +/- 1.53   0.001% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40  11.14 +/- 1.32   0.006% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.63 +/- 0.97   0.001% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  18.12 +/- 1.23   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.90 +/- 1.48   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  19.20 +/- 1.76   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.08 +/- 1.80   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  18.91 +/- 2.06   0.000% *  0.0317% (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 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.826, support = 6.08, residual support = 223.9:
    *   T HA    LEU  115 - QD1   LEU  115   3.87 +/- 0.22  93.825% * 70.2377% (0.84 10.00   6.11 227.80) =  98.161%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.73 +/- 0.56   4.253% * 28.6837% (0.34 10.00   4.47  14.57) =   1.817%  kept
        T HA    ARG+  54 - QD1   LEU  115   7.98 +/- 0.95   1.866% *  0.7762% (0.92 10.00   0.02   0.02) =   0.022%
          HA    ALA  124 - QD1   LEU  115  15.42 +/- 0.93   0.026% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  16.86 +/- 1.51   0.017% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  21.22 +/- 1.41   0.004% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  21.07 +/- 1.20   0.004% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  20.43 +/- 1.74   0.005% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  26.30 +/- 1.19   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.46 +/- 0.26  95.298% * 99.6279% (1.00  10.0 10.00   6.00 227.80) =  99.996%  kept
          HG3   PRO   58 - QD1   LEU  115   6.12 +/- 2.10   3.284% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.003%
          QB    GLU- 114 - QD1   LEU  115   5.53 +/- 0.63   1.325% *  0.0307% (0.31   1.0  1.00   0.02  14.57) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   8.85 +/- 1.08   0.075% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.69 +/- 1.26   0.009% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  14.46 +/- 1.88   0.005% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.52 +/- 1.43   0.003% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  18.40 +/- 1.47   0.001% *  0.0374% (0.38   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 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.765, support = 6.12, residual support = 227.8:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  61.178% * 72.7830% (0.87  10.0 10.00   6.11 227.80) =  81.596%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.32 +/- 0.29  38.781% * 25.8976% (0.31  10.0 10.00   6.14 227.80) =  18.404%  kept
          QB    ALA  120 - QD1   LEU  115   7.70 +/- 0.65   0.029% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  16.32 +/- 1.09   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.82 +/- 1.15   0.008% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  15.55 +/- 1.32   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  13.30 +/- 1.99   0.002% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  12.29 +/- 1.57   0.002% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  14.91 +/- 1.54   0.001% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  17.72 +/- 1.16   0.000% *  0.0286% (0.34   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 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T QD2   LEU  115 - QD1   LEU  115   2.03 +/- 0.07  99.729% * 99.5578% (0.97  10.0 10.00   7.24 227.80) = 100.000%  kept
          QD1   LEU   63 - QD1   LEU  115   6.03 +/- 0.87   0.215% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU  115   7.38 +/- 0.78   0.052% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  13.09 +/- 0.88   0.002% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  14.97 +/- 1.16   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.54 +/- 1.41   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.42 +/- 1.73   0.001% *  0.0318% (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 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 7.29, residual support = 222.7:
    *   T HA    LEU  115 - QD2   LEU  115   3.33 +/- 0.49  93.958% * 70.2377% (0.81 10.00   7.36 227.80) =  97.601%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.79 +/- 0.45   5.645% * 28.6837% (0.33 10.00   4.46  14.57) =   2.395%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.03 +/- 0.87   0.365% *  0.7762% (0.89 10.00   0.02   0.02) =   0.004%
          HA    ALA  124 - QD2   LEU  115  13.93 +/- 0.87   0.021% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  18.03 +/- 1.17   0.005% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  21.72 +/- 1.50   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  20.96 +/- 1.33   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  20.20 +/- 1.44   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  26.13 +/- 1.36   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 1 structures by 0.37 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T HB2   LEU  115 - QD2   LEU  115   2.61 +/- 0.52  96.677% * 99.6279% (0.97  10.0 10.00   7.24 227.80) =  99.998%  kept
          HG3   PRO   58 - QD2   LEU  115   6.70 +/- 1.36   1.272% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD2   LEU  115   5.24 +/- 0.60   1.957% *  0.0307% (0.30   1.0  1.00   0.02  14.57) =   0.001%
          HB2   LEU   67 - QD2   LEU  115  12.31 +/- 1.23   0.021% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115   9.94 +/- 0.94   0.053% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.71 +/- 1.26   0.012% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  14.60 +/- 1.18   0.007% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  18.68 +/- 1.32   0.002% *  0.0374% (0.36   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 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.794, support = 7.32, residual support = 227.8:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.02  80.331% * 72.7830% (0.84  10.0 10.00   7.32 227.80) =  92.050%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.80 +/- 0.41  19.498% * 25.8976% (0.30  10.0 10.00   7.35 227.80) =   7.950%  kept
          QB    ALA  120 - QD2   LEU  115   6.25 +/- 0.62   0.141% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.50 +/- 1.19   0.024% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  15.79 +/- 1.34   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  15.03 +/- 1.53   0.001% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.86 +/- 1.71   0.002% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  12.37 +/- 1.30   0.002% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  15.54 +/- 1.08   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  18.19 +/- 1.00   0.000% *  0.0286% (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 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T QD1   LEU  115 - QD2   LEU  115   2.03 +/- 0.07  99.995% * 99.9055% (0.97  10.0 10.00   7.24 227.80) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  10.95 +/- 0.94   0.005% *  0.0945% (0.91   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 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.0:
    * O T HB2   GLN  116 - HA    GLN  116   2.95 +/- 0.07  99.839% * 98.6426% (1.00  10.0 10.00   5.31 115.03) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.59 +/- 1.61   0.146% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.42 +/- 1.32   0.014% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.68 +/- 1.19   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.89 +/- 1.10   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  22.31 +/- 1.65   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 115.0:
    * O T HG2   GLN  116 - HA    GLN  116   2.33 +/- 0.34  99.978% * 99.8732% (1.00  10.0 10.00   4.93 115.03) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.51 +/- 0.99   0.022% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  32.38 +/- 1.20   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.0:
    * O T HA    GLN  116 - HB2   GLN  116   2.95 +/- 0.07  99.997% * 98.1197% (1.00  10.0 10.00   5.31 115.03) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  19.86 +/- 1.44   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  31.23 +/- 1.03   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  21.68 +/- 1.14   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  32.20 +/- 1.07   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  21.98 +/- 1.30   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  23.46 +/- 1.26   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  29.53 +/- 1.42   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  28.59 +/- 1.15   0.000% *  0.0478% (0.49   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 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 = 5.5, residual support = 115.0:
    * O T HG2   GLN  116 - HB2   GLN  116   2.72 +/- 0.14  99.985% * 99.8732% (1.00  10.0 10.00   5.50 115.03) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.09 +/- 0.86   0.015% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  34.25 +/- 1.10   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 115.0:
    * O T HA    GLN  116 - HG2   GLN  116   2.33 +/- 0.34  99.999% * 99.5202% (1.00  10.0 10.00   4.93 115.03) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.32 +/- 1.43   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  20.57 +/- 1.46   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  20.93 +/- 1.58   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.49 +/- 1.38   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  28.13 +/- 1.28   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.78 +/- 1.08   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  29.16 +/- 1.60   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.75 +/- 1.17   0.000% *  0.0723% (0.73   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 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 115.0:
    * O T HB2   GLN  116 - HG2   GLN  116   2.72 +/- 0.14  99.867% * 99.6852% (1.00  10.0 10.00   5.50 115.03) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.51 +/- 2.20   0.128% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.33 +/- 1.44   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  23.06 +/- 1.82   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.70 +/- 1.27   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  29.50 +/- 1.11   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.18 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 = 1.16, residual support = 14.9:
    * O T QB    SER  117 - HA    SER  117   2.39 +/- 0.10  98.746% * 98.0631% (1.00  10.0 10.00   1.16  14.87) =  99.999%  kept
          HA    LYS+ 121 - HA    SER  117   5.92 +/- 0.57   0.533% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   5.50 +/- 0.28   0.713% *  0.0403% (0.41   1.0  1.00   0.02   5.53) =   0.000%
          HA    PHE   60 - HA    SER  117  12.65 +/- 1.14   0.006% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.37 +/- 1.12   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  22.88 +/- 0.88   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.63 +/- 0.71   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.88 +/- 0.76   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.00 +/- 1.58   0.000% *  0.0151% (0.15   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 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.16, residual support = 14.9:
    * O T HA    SER  117 - QB    SER  117   2.39 +/- 0.10  99.901% * 99.1287% (1.00  10.0 10.00   1.16  14.87) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.05 +/- 0.42   0.073% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.02 +/- 0.66   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.42 +/- 0.97   0.004% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  10.85 +/- 1.16   0.014% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.26 +/- 1.12   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  22.88 +/- 0.88   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.74 +/- 1.60   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.27 +/- 0.76   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  17.40 +/- 1.50   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  16.88 +/- 1.19   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.88 +/- 0.76   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  26.77 +/- 0.90   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  17.86 +/- 1.48   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  22.60 +/- 0.56   0.000% *  0.0087% (0.09   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 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 259.5:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.855% * 99.2403% (0.87  10.0 10.00   6.62 259.54) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  11.42 +/- 1.65   0.051% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  11.14 +/- 1.07   0.047% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.55 +/- 1.22   0.022% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.97 +/- 0.95   0.012% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.32 +/- 1.23   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.56 +/- 1.10   0.003% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.75 +/- 1.89   0.002% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  20.64 +/- 1.59   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.25 +/- 1.34   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.97 +/- 1.03   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.14 +/- 0.91   0.000% *  0.0285% (0.25   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 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 259.5:
    * O T QG2   ILE  119 - HA    ILE  119   2.40 +/- 0.11  99.639% * 99.7168% (1.00  10.0 10.00   6.94 259.54) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   8.57 +/- 2.36   0.307% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   9.65 +/- 1.36   0.037% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.77 +/- 1.16   0.003% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.00 +/- 1.36   0.004% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.97 +/- 1.26   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  15.86 +/- 1.52   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 259.5:
    * O T HG12  ILE  119 - HA    ILE  119   2.72 +/- 0.19  99.790% * 99.4466% (1.00  10.0 10.00   6.91 259.54) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.79 +/- 1.29   0.146% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119   9.94 +/- 0.81   0.049% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  13.58 +/- 1.16   0.009% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  17.75 +/- 1.15   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  18.85 +/- 1.02   0.001% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  18.08 +/- 1.31   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.24 +/- 1.63   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  18.79 +/- 1.11   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.77 +/- 0.95   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  27.29 +/- 2.71   0.000% *  0.0153% (0.15   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 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 259.5:
    * O T HG13  ILE  119 - HA    ILE  119   3.13 +/- 0.58  95.569% * 99.6771% (1.00  10.0 10.00   6.23 259.54) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   6.14 +/- 0.60   2.610% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.27 +/- 0.31   0.862% *  0.0308% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.36 +/- 0.48   0.888% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.92 +/- 1.26   0.062% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.14 +/- 0.95   0.006% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.38 +/- 1.31   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  20.93 +/- 1.07   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 259.5:
    *   T QD1   ILE  119 - HA    ILE  119   3.46 +/- 0.42  99.701% * 99.2846% (0.97 10.00   6.04 259.54) = 100.000%  kept
        T HB    VAL   75 - HA    ILE  119  13.81 +/- 0.71   0.031% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    ILE  119  11.26 +/- 1.72   0.154% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  11.47 +/- 1.17   0.113% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.59, residual support = 255.5:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  98.106% * 50.8167% (0.87  10.0 10.00   6.62 259.54) =  98.180%  kept
        T HA    THR  118 - HB    ILE  119   5.83 +/- 0.12   1.884% * 49.0416% (0.84   1.0 10.00   4.75  39.49) =   1.820%  kept
          HA2   GLY  109 - HB    ILE  119  15.15 +/- 0.92   0.007% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.34 +/- 1.05   0.001% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.42 +/- 1.19   0.000% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  18.54 +/- 0.93   0.002% *  0.0089% (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 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 = 259.5:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.02  99.977% * 99.7168% (0.87  10.0 10.00   6.31 259.54) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119  10.62 +/- 2.22   0.016% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.01 +/- 1.32   0.004% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.66 +/- 1.13   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.24 +/- 1.52   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.71 +/- 1.17   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  17.63 +/- 1.82   0.000% *  0.0374% (0.33   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 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 259.5:
    * O T HG12  ILE  119 - HB    ILE  119   2.67 +/- 0.16  99.944% * 99.4466% (0.87  10.0 10.00   5.95 259.54) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119  10.38 +/- 1.29   0.034% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  11.99 +/- 1.03   0.015% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  16.31 +/- 1.28   0.003% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.70 +/- 1.43   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.80 +/- 1.16   0.001% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  20.31 +/- 1.52   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.22 +/- 1.97   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  20.31 +/- 1.41   0.001% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  28.41 +/- 1.01   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.07 +/- 2.99   0.000% *  0.0153% (0.13   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 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 259.5:
    * O T HG13  ILE  119 - HB    ILE  119   2.66 +/- 0.40  98.608% * 99.4020% (0.87  10.0 10.00   5.59 259.54) =  99.998%  kept
        T QG1   VAL  107 - HB    ILE  119   6.62 +/- 0.72   0.869% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL  107 - HB    ILE  119   7.65 +/- 0.70   0.318% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    ILE  119   9.59 +/- 1.24   0.089% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.60 +/- 0.35   0.114% *  0.0307% (0.27   1.0  1.00   0.02   2.64) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.81 +/- 1.20   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  24.15 +/- 1.35   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  22.70 +/- 1.11   0.000% *  0.0409% (0.36   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 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 259.5:
    * O T QD1   ILE  119 - HB    ILE  119   2.57 +/- 0.36  99.975% * 99.2846% (0.84  10.0 10.00   5.44 259.54) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  12.27 +/- 1.07   0.016% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  13.61 +/- 1.55   0.006% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  15.89 +/- 0.93   0.002% *  0.0582% (0.49   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 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 259.5:
    * O T HA    ILE  119 - QG2   ILE  119   2.40 +/- 0.11  99.611% * 99.6260% (1.00  10.0 10.00   6.94 259.54) = 100.000%  kept
          HA    THR  118 - QG2   ILE  119   6.09 +/- 0.03   0.383% *  0.0961% (0.97   1.0  1.00   0.02  39.49) =   0.000%
          HA2   GLY  109 - QG2   ILE  119  13.91 +/- 0.92   0.003% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  17.93 +/- 0.98   0.001% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.60 +/- 1.17   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  14.81 +/- 0.92   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 259.5:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.02  99.956% * 99.2403% (0.87  10.0 10.00   6.31 259.54) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119   9.51 +/- 1.53   0.023% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  10.29 +/- 1.02   0.010% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  11.35 +/- 0.95   0.005% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.45 +/- 0.89   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.95 +/- 1.13   0.001% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  13.72 +/- 1.40   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.50 +/- 1.15   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.37 +/- 1.55   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.39 +/- 1.77   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  18.23 +/- 1.31   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.68 +/- 1.07   0.000% *  0.0285% (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 1511 (0.96, 0.96, 17.56 ppm):
    1 diagonal assignment:
    *     QG2   ILE  119 - QG2   ILE  119  (1.00)  kept
 
    Peak 1512 (2.26, 0.96, 17.56 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 259.5:
    * O T HG12  ILE  119 - QG2   ILE  119   3.13 +/- 0.10  99.589% * 99.4466% (1.00  10.0 10.00   6.26 259.54) = 100.000%  kept
          HB2   ASP-  44 - QG2   ILE  119   9.29 +/- 0.95   0.198% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QG2   ILE  119   9.67 +/- 1.01   0.146% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  12.66 +/- 1.32   0.033% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.58 +/- 1.28   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  15.61 +/- 1.38   0.008% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  16.90 +/- 1.04   0.004% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.07 +/- 1.75   0.005% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  16.27 +/- 1.26   0.006% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.80 +/- 1.03   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.75 +/- 2.59   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 = 5.9, residual support = 259.5:
    * O T HG13  ILE  119 - QG2   ILE  119   2.62 +/- 0.31  98.968% * 99.6771% (1.00  10.0 10.00   5.90 259.54) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   6.64 +/- 0.54   0.514% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.82 +/- 0.26   0.164% *  0.0308% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.27 +/- 1.11   0.086% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.37 +/- 0.46   0.261% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.55 +/- 1.11   0.005% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.65 +/- 1.25   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  18.55 +/- 0.95   0.001% *  0.0410% (0.41   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 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 259.5:
    *   T QD1   ILE  119 - QG2   ILE  119   1.91 +/- 0.24  99.991% * 99.8078% (0.97 10.00   5.75 259.54) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  11.70 +/- 1.43   0.003% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  11.08 +/- 1.10   0.004% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  12.67 +/- 0.90   0.002% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.88, residual support = 254.4:
    * O T HA    ILE  119 - HG12  ILE  119   2.72 +/- 0.19  97.548% * 50.8167% (1.00  10.0 10.00   6.91 259.54) =  97.644%  kept
        T HA    THR  118 - HG12  ILE  119   5.12 +/- 0.16   2.439% * 49.0416% (0.97   1.0 10.00   5.51  39.49) =   2.356%  kept
          HA2   GLY  109 - HG12  ILE  119  13.15 +/- 0.99   0.009% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  18.75 +/- 1.01   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.28 +/- 1.06   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  16.20 +/- 0.77   0.003% *  0.0089% (0.18   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 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 259.5:
    * O T HB    ILE  119 - HG12  ILE  119   2.67 +/- 0.16  99.828% * 98.6651% (0.87  10.0 10.00   5.95 259.54) = 100.000%  kept
          HB2   PRO   93 - HG12  ILE  119   9.04 +/- 1.14   0.106% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.19 +/- 0.97   0.004% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.46 +/- 1.26   0.039% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.60 +/- 0.94   0.012% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  13.65 +/- 1.57   0.008% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.67 +/- 1.35   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.52 +/- 1.60   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  21.10 +/- 1.28   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.62 +/- 1.61   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  19.65 +/- 0.95   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  28.28 +/- 0.91   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 259.5:
    * O T QG2   ILE  119 - HG12  ILE  119   3.13 +/- 0.10  99.479% * 99.7168% (1.00  10.0 10.00   6.26 259.54) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.73 +/- 2.25   0.392% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  14.07 +/- 1.09   0.015% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  11.17 +/- 1.19   0.065% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.34 +/- 1.09   0.033% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  15.33 +/- 1.28   0.009% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.76 +/- 1.62   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.17 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 = 5.65, residual support = 259.5:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.569% * 99.6771% (1.00  10.0 10.00   5.65 259.54) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.95 +/- 0.71   0.324% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.77 +/- 0.58   0.095% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.56 +/- 1.34   0.006% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   8.95 +/- 0.35   0.006% *  0.0308% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.43 +/- 1.03   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  22.28 +/- 1.19   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  20.69 +/- 1.13   0.000% *  0.0410% (0.41   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 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.5, residual support = 259.5:
    * O T QD1   ILE  119 - HG12  ILE  119   2.16 +/- 0.01  99.981% * 99.8078% (0.97  10.0 10.00   5.50 259.54) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  10.41 +/- 1.14   0.014% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.58 +/- 1.44   0.003% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  13.53 +/- 0.80   0.002% *  0.0586% (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 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.19, residual support = 253.7:
    * O T HA    ILE  119 - HG13  ILE  119   3.13 +/- 0.58  97.216% * 50.8167% (1.00  10.0 10.00   6.23 259.54) =  97.348%  kept
        T HA    THR  118 - HG13  ILE  119   6.21 +/- 0.30   2.744% * 49.0416% (0.97   1.0 10.00   4.70  39.49) =   2.652%  kept
          HA2   GLY  109 - HG13  ILE  119  14.03 +/- 1.23   0.030% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.46 +/- 1.10   0.002% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.45 +/- 1.14   0.002% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  16.51 +/- 1.37   0.006% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 259.5:
    * O T HB    ILE  119 - HG13  ILE  119   2.66 +/- 0.40  99.882% * 99.2403% (0.87  10.0 10.00   5.59 259.54) = 100.000%  kept
          HB2   PRO   93 - HG13  ILE  119   9.76 +/- 1.20   0.060% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  13.33 +/- 2.07   0.018% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG13  ILE  119  11.23 +/- 1.68   0.022% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.70 +/- 0.95   0.007% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.07 +/- 1.19   0.004% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.35 +/- 2.04   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.74 +/- 2.18   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  21.41 +/- 1.83   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.17 +/- 2.18   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  19.50 +/- 1.45   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  28.63 +/- 1.59   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 259.5:
    * O T QG2   ILE  119 - HG13  ILE  119   2.62 +/- 0.31  99.799% * 99.7168% (1.00  10.0 10.00   5.90 259.54) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   9.67 +/- 2.40   0.165% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.59 +/- 1.58   0.020% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  14.86 +/- 1.36   0.004% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  15.34 +/- 2.02   0.003% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  13.22 +/- 1.28   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.69 +/- 2.13   0.003% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 259.5:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.992% * 99.4466% (1.00  10.0 10.00   5.65 259.54) = 100.000%  kept
          HB2   ASP-  44 - HG13  ILE  119  10.02 +/- 1.47   0.005% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG13  ILE  119  10.34 +/- 1.19   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  14.89 +/- 1.49   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.11 +/- 1.48   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.20 +/- 1.08   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  19.63 +/- 1.63   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.29 +/- 2.17   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  18.17 +/- 1.62   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  26.80 +/- 1.50   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  28.38 +/- 2.86   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 259.5:
    * O T QD1   ILE  119 - HG13  ILE  119   2.16 +/- 0.01  99.989% * 99.8078% (0.97  10.0 10.00   5.15 259.54) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  11.33 +/- 1.14   0.007% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  13.45 +/- 1.72   0.002% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  13.90 +/- 1.39   0.002% *  0.0586% (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 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.03, residual support = 257.8:
    *   T HA    ILE  119 - QD1   ILE  119   3.46 +/- 0.42  96.370% * 81.8032% (0.97 10.00   6.04 259.54) =  99.217%  kept
          HA    THR  118 - QD1   ILE  119   6.20 +/- 0.14   3.489% * 17.8397% (0.93  1.00   4.52  39.49) =   0.783%  kept
          HA2   GLY  109 - QD1   ILE  119  11.60 +/- 1.00   0.092% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  13.74 +/- 1.05   0.030% *  0.1433% (0.17 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.29 +/- 1.12   0.011% *  0.0734% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.20 +/- 1.06   0.008% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 259.5:
    * O T HB    ILE  119 - QD1   ILE  119   2.57 +/- 0.36  99.564% * 98.5836% (0.84  10.0 10.00   5.44 259.54) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.71 +/- 1.01   0.020% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   7.93 +/- 1.08   0.302% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.48 +/- 1.25   0.056% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.46 +/- 1.36   0.026% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.59 +/- 0.93   0.019% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  14.52 +/- 1.57   0.008% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.40 +/- 1.57   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  18.20 +/- 1.40   0.001% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  16.61 +/- 1.20   0.003% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.43 +/- 1.52   0.001% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.97 +/- 1.21   0.000% *  0.0283% (0.24   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 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 259.5:
    *   T QG2   ILE  119 - QD1   ILE  119   1.91 +/- 0.24  99.944% * 99.7168% (0.97 10.00   5.75 259.54) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   8.44 +/- 1.74   0.043% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  13.12 +/- 1.26   0.002% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.04 +/- 0.95   0.001% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.43 +/- 1.27   0.005% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.76 +/- 0.92   0.003% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.79 +/- 1.67   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 = 5.5, residual support = 259.5:
    * O T HG12  ILE  119 - QD1   ILE  119   2.16 +/- 0.01  99.925% * 99.4466% (0.97  10.0 10.00   5.50 259.54) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119   8.41 +/- 1.18   0.051% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.60 +/- 0.92   0.015% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  12.83 +/- 1.44   0.003% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.12 +/- 1.34   0.002% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.12 +/- 1.13   0.001% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.73 +/- 1.44   0.001% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.89 +/- 1.80   0.000% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  14.84 +/- 1.33   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  22.62 +/- 1.09   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.78 +/- 2.71   0.000% *  0.0153% (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 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 259.5:
    * O T HG13  ILE  119 - QD1   ILE  119   2.16 +/- 0.01  98.866% * 99.6771% (0.97  10.0 10.00   5.15 259.54) = 100.000%  kept
          QG1   VAL  107 - QD1   ILE  119   5.40 +/- 0.72   0.623% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   7.40 +/- 1.25   0.114% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.69 +/- 0.67   0.377% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.12 +/- 0.29   0.018% *  0.0308% (0.30   1.0  1.00   0.02   2.64) =   0.000%
          QB    ALA   20 - QD1   ILE  119  14.28 +/- 1.26   0.001% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  19.63 +/- 1.25   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  17.61 +/- 1.01   0.000% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.42, residual support = 14.2:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.820% * 99.2082% (0.95  10.0 10.00   2.42  14.23) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.48 +/- 0.40   0.139% *  0.1618% (0.15   1.0 10.00   0.02   1.92) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.62 +/- 1.14   0.016% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  12.26 +/- 2.93   0.012% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.57 +/- 0.64   0.007% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.85 +/- 1.71   0.001% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  14.29 +/- 1.74   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.93 +/- 1.93   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.53 +/- 1.49   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.52 +/- 1.00   0.000% *  0.0262% (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 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.42, residual support = 14.2:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  95.856% * 99.3786% (0.95  10.0 10.00   2.42  14.23) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.89 +/- 0.05   2.662% *  0.0759% (0.72   1.0  1.00   0.02   1.92) =   0.002%
          QB    SER  117 - QB    ALA  120   4.36 +/- 0.29   1.478% *  0.0409% (0.39   1.0  1.00   0.02   5.53) =   0.001%
          HA    LYS+  65 - QB    ALA  120  13.59 +/- 1.06   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.52 +/- 0.64   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.81 +/- 1.51   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  20.24 +/- 0.81   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.13 +/- 0.92   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.20 +/- 0.68   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.66 +/- 0.82   0.000% *  0.0197% (0.19   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 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 = 0.974, support = 8.14, residual support = 311.9:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.92 +/- 0.07  66.914% * 91.1605% (1.00  10.0 10.00   8.24 316.12) =  97.235%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.42 +/- 0.41  30.265% *  5.7090% (0.06   1.0 10.00   4.75 162.61) =   2.754%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.24 +/- 0.52   2.369% *  0.2814% (0.31   1.0 10.00   0.02   2.19) =   0.011%
        T QD    LYS+  65 - HA    LYS+ 121  16.15 +/- 1.15   0.003% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65   8.01 +/- 2.26   0.406% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  16.24 +/- 1.76   0.003% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.88 +/- 1.64   0.001% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  16.25 +/- 1.41   0.003% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  14.76 +/- 1.25   0.005% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.74 +/- 1.57   0.005% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.03 +/- 0.83   0.003% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  17.05 +/- 1.45   0.002% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.74 +/- 1.69   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.49 +/- 1.07   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.66 +/- 0.88   0.018% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  24.37 +/- 1.47   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  21.77 +/- 1.32   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  19.45 +/- 0.76   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.53 +/- 1.39   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.30 +/- 0.71   0.001% *  0.0020% (0.02   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 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.1:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.21 +/- 0.33  99.891% * 99.6412% (1.00  10.0 10.00   7.27 316.12) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.09 +/- 0.78   0.015% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.83 +/- 0.17   0.035% *  0.0308% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          QB    ALA   20 - HA    LYS+  65   9.62 +/- 1.31   0.044% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.47 +/- 1.41   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  16.59 +/- 1.51   0.001% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.93 +/- 1.44   0.009% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.74 +/- 0.68   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  20.91 +/- 0.92   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.46 +/- 1.64   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  19.05 +/- 0.91   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  19.48 +/- 1.12   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.1:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.38 +/- 0.21  98.434% * 99.4380% (1.00  10.0 10.00   6.68 316.12) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.09 +/- 0.07   1.224% *  0.0484% (0.49   1.0  1.00   0.02   2.19) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  11.98 +/- 0.62   0.054% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.43 +/- 1.02   0.146% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.96 +/- 1.64   0.007% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  16.53 +/- 1.54   0.009% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  11.60 +/- 1.63   0.083% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.84 +/- 0.56   0.036% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.34 +/- 2.19   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  18.30 +/- 1.39   0.005% *  0.0014% (0.01   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 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.49, support = 7.54, residual support = 291.8:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  37.208% * 21.3664% (0.31  10.0 10.00   8.25 316.12) =  52.366%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.33   6.992% * 69.2258% (1.00   1.0 10.00   7.51 316.12) =  31.884%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.54 +/- 0.50  55.181% *  4.3065% (0.06  10.0 10.00   5.27 162.61) =  15.653%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.95 +/- 0.62   0.421% *  3.4792% (0.05   1.0 10.00   5.46  25.22) =   0.096%
        T QD    LYS+  66 - HA    LYS+ 121  11.19 +/- 2.18   0.017% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HA    LYS+  65   7.91 +/- 2.25   0.123% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.90 +/- 1.45   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.19 +/- 1.75   0.011% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 1.76   0.029% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.26 +/- 1.38   0.005% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.87   0.001% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.23 +/- 1.72   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.31 +/- 1.02   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.30 +/- 1.62   0.002% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.15 +/- 1.36   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.69 +/- 1.07   0.002% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.09 +/- 0.97   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.62 +/- 1.16   0.005% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.70 +/- 1.79   0.001% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.18 +/- 1.50   0.000% *  0.0010% (0.01   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 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 6.64, residual support = 293.3:
    *     QE    LYS+ 121 - HA    LYS+ 121   4.05 +/- 0.73  87.529% * 58.3531% (1.00   6.72 316.12) =  91.415%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.96 +/- 0.36  11.589% * 41.3890% (0.84   5.71  50.25) =   8.585%  kept
          HB3   HIS  122 - HA    LYS+  65  10.66 +/- 1.79   0.697% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  14.81 +/- 2.18   0.106% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  15.20 +/- 1.30   0.051% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  23.98 +/- 1.35   0.003% *  0.1192% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.11 +/- 1.65   0.001% *  0.0778% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  26.42 +/- 1.69   0.002% *  0.0268% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  18.09 +/- 1.68   0.018% *  0.0017% (0.01   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  21.99 +/- 1.05   0.005% *  0.0049% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1543 (3.94, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 8.24, residual support = 316.1:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.07  94.816% * 99.1042% (1.00  10.0 10.00   8.24 316.12) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.45 +/- 0.80   3.159% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.58 +/- 0.21   1.967% *  0.0757% (0.76   1.0  1.00   0.02   1.92) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  14.76 +/- 1.25   0.007% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  10.90 +/- 1.04   0.042% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  14.96 +/- 0.66   0.005% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  17.75 +/- 1.72   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  22.15 +/- 0.93   0.001% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.54 +/- 0.89   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.88 +/- 0.88   0.000% *  0.0407% (0.41   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 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.71, residual support = 316.1:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.96 +/- 0.07  99.024% * 99.7211% (1.00  10.0 10.00   7.71 316.12) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   7.89 +/- 0.85   0.373% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.03 +/- 0.32   0.578% *  0.0308% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.55 +/- 1.42   0.023% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.35 +/- 0.94   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.82 +/- 1.55   0.001% *  0.0277% (0.28   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 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 316.1:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.75 +/- 0.14  99.780% * 99.0974% (1.00  10.0 10.00   7.14 316.12) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.05 +/- 0.11   0.166% *  0.4824% (0.49   1.0 10.00   0.02   2.19) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.01 +/- 0.62   0.049% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  15.27 +/- 1.73   0.004% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.49 +/- 2.04   0.001% *  0.0221% (0.22   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 1547 (1.50, 1.66, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.661, support = 8.41, residual support = 316.1:
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.19 +/- 0.39  24.302% * 74.7463% (1.00  10.0 10.00   7.98 316.12) =  50.986%  kept
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  75.691% * 23.0703% (0.31  10.0 10.00   8.86 316.12) =  49.014%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.77 +/- 2.04   0.003% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.39 +/- 1.28   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.41 +/- 1.71   0.003% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.01 +/- 1.31   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.67 +/- 1.40   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.28 +/- 1.54   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.10 +/- 1.62   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.45 +/- 1.05   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.989, support = 7.1, residual support = 298.9:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.59 +/- 0.34  91.177% * 58.1201% (1.00   7.17 316.12) =  93.515%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.52 +/- 0.48   8.819% * 41.6708% (0.84   6.15  50.25) =   6.485%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.26 +/- 1.36   0.002% *  0.1114% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.16 +/- 1.53   0.001% *  0.0727% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  23.76 +/- 1.72   0.001% *  0.0250% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 316.1:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.21 +/- 0.33  99.625% * 99.1042% (1.00  10.0 10.00   7.27 316.12) = 100.000%  kept
          QB    SER  117 - HG2   LYS+ 121   6.50 +/- 1.16   0.209% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.73 +/- 0.23   0.160% *  0.0757% (0.76   1.0  1.00   0.02   1.92) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  16.59 +/- 1.51   0.001% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.52 +/- 1.12   0.004% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.07 +/- 0.81   0.001% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  18.33 +/- 2.04   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  24.36 +/- 0.98   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.16 +/- 0.99   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  24.39 +/- 1.20   0.000% *  0.0407% (0.41   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 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.71, residual support = 316.1:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.96 +/- 0.07  99.448% * 99.4783% (1.00  10.0 10.00   7.71 316.12) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.19 +/- 0.54   0.523% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.87 +/- 1.74   0.008% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  16.79 +/- 1.27   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  16.98 +/- 1.79   0.004% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  15.95 +/- 1.98   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  16.95 +/- 1.59   0.003% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.38 +/- 0.91   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  19.76 +/- 1.73   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  23.55 +/- 1.73   0.000% *  0.0975% (0.98   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 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 = 316.1:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.3314% (1.00  10.0 10.00   6.31 316.12) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.68 +/- 0.11   0.007% *  0.0483% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.51 +/- 1.77   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.22 +/- 0.67   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  21.37 +/- 2.50   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.829, support = 7.26, residual support = 316.1:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.81 +/- 0.13  48.329% * 75.5250% (1.00  10.0 10.00   7.11 316.12) =  75.219%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.78 +/- 0.09  51.587% * 23.3106% (0.31  10.0 10.00   7.73 316.12) =  24.781%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.17 +/- 2.09   0.013% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121   9.75 +/- 1.92   0.053% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.11 +/- 1.58   0.004% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  11.68 +/- 1.72   0.013% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.48 +/- 1.44   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.33 +/- 1.69   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.67 +/- 1.25   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.06 +/- 1.38   0.000% *  0.0577% (0.76   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 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.1:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.55 +/- 0.47  99.525% * 99.7880% (1.00  10.0   6.31 316.12) = 100.000%  kept
          HB3   HIS  122 - HG2   LYS+ 121   6.80 +/- 0.79   0.475% *  0.0833% (0.84   1.0   0.02  50.25) =   0.000%
          HG2   GLN   30 - HG2   LYS+ 121  23.41 +/- 1.87   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.12 +/- 2.00   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  26.20 +/- 1.62   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 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.68, residual support = 316.1:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.38 +/- 0.21  96.019% * 98.4706% (1.00  10.0 10.00   6.68 316.12) =  99.997%  kept
          QB    SER  117 - HG3   LYS+ 121   6.39 +/- 0.80   2.584% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HG3   LYS+ 121   7.68 +/- 0.10   0.716% *  0.0753% (0.76   1.0  1.00   0.02   1.92) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  10.43 +/- 1.02   0.142% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  10.90 +/- 1.67   0.120% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  16.53 +/- 1.54   0.009% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.96 +/- 1.64   0.007% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73  10.29 +/- 1.39   0.155% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  11.19 +/- 0.83   0.091% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  13.09 +/- 1.41   0.036% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  12.83 +/- 1.17   0.041% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  15.73 +/- 0.91   0.011% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  12.32 +/- 0.95   0.044% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  18.37 +/- 2.12   0.006% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.66 +/- 1.61   0.008% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.57 +/- 1.48   0.006% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  19.38 +/- 1.23   0.003% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  23.44 +/- 1.06   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.46 +/- 1.10   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  23.03 +/- 1.25   0.001% *  0.0405% (0.41   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 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.14, residual support = 316.1:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.75 +/- 0.14  98.670% * 98.6953% (1.00  10.0 10.00   7.14 316.12) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.42 +/- 0.54   0.135% *  0.3046% (0.31   1.0 10.00   0.02   2.19) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   6.58 +/- 0.95   0.842% *  0.0204% (0.21   1.0  1.00   0.02  40.10) =   0.000%
          HB    VAL   83 - QD2   LEU   73   8.11 +/- 1.14   0.240% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  10.62 +/- 1.22   0.043% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  15.27 +/- 1.73   0.004% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.77 +/- 1.68   0.009% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.77 +/- 0.70   0.011% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  16.53 +/- 1.60   0.003% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  16.74 +/- 1.28   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.42 +/- 1.53   0.010% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  12.41 +/- 0.99   0.014% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  15.25 +/- 1.85   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  16.03 +/- 1.67   0.003% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  15.95 +/- 0.94   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.06 +/- 1.72   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  22.17 +/- 1.78   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  15.86 +/- 1.51   0.003% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.33 +/- 1.49   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  21.42 +/- 1.94   0.001% *  0.0094% (0.09   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 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 316.1:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.840% * 98.9593% (1.00  10.0 10.00   6.31 316.12) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.06 +/- 0.80   0.117% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.21 +/- 0.60   0.024% *  0.0938% (0.09   1.0 10.00   0.02   1.35) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   8.94 +/- 1.06   0.009% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.61 +/- 0.30   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.64) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.54 +/- 1.62   0.002% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.51 +/- 1.77   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.95 +/- 1.39   0.001% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.17 +/- 1.63   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.24 +/- 1.96   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  14.91 +/- 1.93   0.000% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.35 +/- 1.18   0.000% *  0.0792% (0.80   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 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 = 0.617, support = 6.83, residual support = 316.1:
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.32 +/- 0.11  72.670% * 23.1874% (0.31  10.0 10.00   7.06 316.12) =  55.399%  kept
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.92 +/- 0.08  18.055% * 75.1260% (1.00  10.0 10.00   6.54 316.12) =  44.594%  kept
          QG2   THR   26 - QD2   LEU   73   4.49 +/- 1.13   8.582% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QD2   LEU   73   5.63 +/- 0.69   0.503% *  0.0196% (0.26   1.0  1.00   0.02  40.10) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.56 +/- 0.69   0.075% *  0.0507% (0.07   1.0 10.00   0.02  40.10) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.62 +/- 2.09   0.005% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.61 +/- 1.81   0.059% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  13.12 +/- 0.97   0.003% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.45 +/- 1.50   0.014% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.74 +/- 2.00   0.001% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.27 +/- 1.70   0.011% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  15.33 +/- 1.89   0.001% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73  10.07 +/- 0.93   0.013% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.35 +/- 1.55   0.002% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  17.32 +/- 1.48   0.001% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.70 +/- 1.67   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  13.20 +/- 1.15   0.003% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.30 +/- 1.49   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  20.87 +/- 1.31   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.83 +/- 2.05   0.000% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 316.1:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.72 +/- 0.50  78.154% * 99.6820% (1.00  10.0   6.00 316.12) =  99.993%  kept
          HG2   GLN   30 - QD2   LEU   73   4.33 +/- 1.32  21.149% *  0.0233% (0.23   1.0   0.02   6.97) =   0.006%
          HB3   HIS  122 - HG3   LYS+ 121   7.16 +/- 0.72   0.505% *  0.0833% (0.84   1.0   0.02  50.25) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   8.24 +/- 0.49   0.152% *  0.0152% (0.15   1.0   0.02   0.93) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.27 +/- 2.02   0.009% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  13.80 +/- 1.43   0.010% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  12.00 +/- 1.29   0.020% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  22.53 +/- 1.90   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  24.87 +/- 2.02   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  25.15 +/- 1.70   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 7.41, residual support = 306.6:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.69 +/- 0.33  58.168% * 56.2480% (1.00 10.00   7.51 316.12) =  96.977%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.48 +/- 0.40   2.335% * 42.9863% (0.76 10.00   4.22   1.92) =   2.975%  kept
          QB    SER  117 - HD2   LYS+ 121   5.09 +/- 2.09  30.028% *  0.0470% (0.84  1.00   0.02   0.02) =   0.042%
        T HA    LYS+  65 - QD    LYS+  66   5.95 +/- 0.62   4.239% *  0.0239% (0.04 10.00   0.02  25.22) =   0.003%
        T HA    LYS+  65 - HD3   LYS+  74   7.91 +/- 2.25   2.663% *  0.0299% (0.05 10.00   0.02   0.02) =   0.002%
        T HA    LYS+ 121 - QD    LYS+  66  11.19 +/- 2.18   0.161% *  0.0699% (0.12 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.66 +/- 2.25   0.923% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  15.58 +/- 1.87   0.023% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  11.63 +/- 1.32   0.132% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.74 +/- 1.65   0.729% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.28 +/- 0.94   0.015% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  12.27 +/- 2.05   0.089% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.79 +/- 0.82   0.213% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  10.95 +/- 1.32   0.128% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  13.33 +/- 1.14   0.034% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.63 +/- 1.65   0.050% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.23 +/- 1.72   0.003% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  18.37 +/- 2.41   0.009% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.48 +/- 1.20   0.021% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  22.50 +/- 1.11   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  17.56 +/- 1.82   0.008% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  23.87 +/- 1.15   0.001% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  17.31 +/- 1.06   0.007% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  23.15 +/- 1.12   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  18.92 +/- 1.25   0.004% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.06 +/- 2.01   0.004% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  19.23 +/- 1.17   0.004% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  17.62 +/- 1.09   0.005% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.68 +/- 1.22   0.002% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  23.46 +/- 0.91   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 = 0.795, support = 6.93, residual support = 287.0:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.19 +/- 0.39  24.128% * 87.6744% (1.00  10.0 10.00   7.98 316.12) =  77.375%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  74.555% *  8.2944% (0.09  10.0  1.00   3.34 187.65) =  22.619%  kept
        T QD    LYS+  65 - HD3   LYS+  74   6.71 +/- 1.80   1.209% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.006%
        T QD    LYS+  65 - QD    LYS+  66   6.15 +/- 0.99   0.073% *  0.1088% (0.12   1.0 10.00   0.02  25.22) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.62 +/- 0.60   0.013% *  0.0271% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.77 +/- 2.04   0.003% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  15.63 +/- 1.58   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  14.25 +/- 2.76   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  15.44 +/- 1.61   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.95 +/- 1.98   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  18.33 +/- 1.96   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.80 +/- 2.16   0.011% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   9.61 +/- 1.18   0.004% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.10 +/- 1.62   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  14.79 +/- 1.76   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  14.56 +/- 1.09   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  12.11 +/- 1.94   0.001% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.61 +/- 1.09   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.75 +/- 1.27   0.000% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.27 +/- 1.25   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  21.39 +/- 1.09   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  20.39 +/- 1.80   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  22.23 +/- 1.72   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.98 +/- 1.70   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  20.38 +/- 2.04   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  16.06 +/- 1.62   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  16.56 +/- 1.33   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  24.14 +/- 1.69   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  21.34 +/- 1.35   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.23 +/- 2.12   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.11, residual support = 316.1:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.81 +/- 0.13  94.677% * 99.3656% (1.00  10.0 10.00   7.11 316.12) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   5.80 +/- 1.19   4.020% *  0.0124% (0.12   1.0  1.00   0.02   8.19) =   0.001%
          QG2   VAL  107 - HD2   LYS+ 121   8.08 +/- 1.38   0.505% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   7.62 +/- 0.69   0.294% *  0.0307% (0.31   1.0  1.00   0.02   2.64) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.17 +/- 2.09   0.025% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.39 +/- 1.98   0.406% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.71 +/- 1.58   0.016% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.98 +/- 1.40   0.020% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  13.25 +/- 1.37   0.011% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.33 +/- 1.69   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  13.18 +/- 1.23   0.010% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  19.93 +/- 1.46   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.62 +/- 2.41   0.008% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.20 +/- 2.12   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  18.27 +/- 1.26   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.30 +/- 1.44   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.43 +/- 0.92   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.00 +/- 1.12   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 316.1:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.92 +/- 0.08  95.607% * 99.1222% (1.00  10.0 10.00   6.54 316.12) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   6.28 +/- 2.02   3.683% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   7.56 +/- 0.69   0.384% *  0.0527% (0.05   1.0 10.00   0.02  40.10) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.70 +/- 0.40   0.149% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  10.33 +/- 0.93   0.057% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.62 +/- 2.09   0.026% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.74 +/- 2.00   0.006% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  13.12 +/- 0.97   0.013% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.99 +/- 1.21   0.043% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  12.24 +/- 1.25   0.021% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.70 +/- 1.67   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.62 +/- 1.78   0.003% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.90 +/- 2.44   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.57 +/- 1.05   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.22 +/- 1.39   0.001% *  0.0027% (0.03   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 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 = 6.48, residual support = 316.1:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.27 +/- 0.12  95.385% * 98.9202% (1.00  10.0  1.00   6.48 316.12) =  99.998%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.48 +/- 1.59   1.555% *  0.0826% (0.84   1.0  1.00   0.02  50.25) =   0.001%
          HB3   HIS  122 - QD    LYS+  66   6.96 +/- 2.82   3.025% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.50 +/- 0.81   0.004% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.23 +/- 1.98   0.016% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  22.83 +/- 2.22   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  18.41 +/- 1.06   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.92 +/- 1.17   0.011% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  15.52 +/- 1.98   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  17.67 +/- 2.08   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.04 +/- 0.98   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.57 +/- 2.04   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  24.32 +/- 1.73   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  19.93 +/- 1.43   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  23.97 +/- 0.94   0.000% *  0.0055% (0.06   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 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.4:
    * O T HB2   HIS  122 - HA    HIS  122   2.57 +/- 0.23  99.997% * 99.8210% (1.00  10.0 10.00   2.76  68.40) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.69 +/- 0.54   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  18.66 +/- 1.22   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.996, support = 3.53, residual support = 68.0:
    * O T HB3   HIS  122 - HA    HIS  122   2.77 +/- 0.27  85.168% * 87.6789% (1.00  10.0 10.00   3.54  68.40) =  97.627%  kept
          QE    LYS+ 121 - HA    HIS  122   5.82 +/- 2.03  14.831% * 12.2398% (0.84   1.0  1.00   3.34  50.25) =   2.373%  kept
          HG2   GLN   30 - HA    HIS  122  20.83 +/- 1.20   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  25.07 +/- 1.61   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.95 +/- 1.54   0.000% *  0.0154% (0.18   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 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 68.4:
    * O T HA    HIS  122 - HB2   HIS  122   2.57 +/- 0.23  99.976% * 99.8702% (1.00  10.0 10.00   2.76  68.40) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.30 +/- 1.89   0.022% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  16.10 +/- 0.81   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  20.61 +/- 1.05   0.001% *  0.0249% (0.25   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 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 68.4:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.724% * 99.8240% (1.00  10.0 10.00   3.42  68.40) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   7.27 +/- 1.95   0.276% *  0.0834% (0.84   1.0  1.00   0.02  50.25) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  19.68 +/- 1.43   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  23.40 +/- 1.74   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.22 +/- 1.75   0.000% *  0.0175% (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 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.54, residual support = 68.4:
    * O T HA    HIS  122 - HB3   HIS  122   2.77 +/- 0.27  99.971% * 99.8702% (1.00  10.0 10.00   3.54  68.40) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.78 +/- 1.77   0.025% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  15.86 +/- 1.02   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.08 +/- 1.14   0.001% *  0.0249% (0.25   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 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 68.4:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.8210% (1.00  10.0 10.00   3.42  68.40) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.32 +/- 0.60   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  16.62 +/- 1.35   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.11, residual support = 200.4:
    * O T HB2   LEU  123 - HA    LEU  123   2.93 +/- 0.10  99.660% * 98.5720% (1.00  10.0 10.00   6.11 200.40) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  12.54 +/- 2.37   0.041% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.87 +/- 0.10   0.271% *  0.0304% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.50 +/- 1.56   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  13.09 +/- 1.45   0.017% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  19.48 +/- 1.34   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  20.20 +/- 2.25   0.001% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.17 +/- 2.29   0.002% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.95 +/- 0.84   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.37 +/- 1.33   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.44 +/- 1.09   0.001% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  26.33 +/- 1.67   0.000% *  0.0405% (0.41   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 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 200.4:
    * O T HB3   LEU  123 - HA    LEU  123   2.66 +/- 0.17  99.995% * 99.6484% (1.00  10.0 10.00   5.50 200.40) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.77 +/- 0.91   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  18.63 +/- 2.10   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.03 +/- 2.16   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.64 +/- 1.13   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.85 +/- 1.96   0.000% *  0.0197% (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 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.4:
    * O T HG    LEU  123 - HA    LEU  123   3.38 +/- 0.65  85.568% * 98.6685% (0.69  10.0 10.00   5.42 200.40) =  99.985%  kept
          HG3   PRO   68 - HA    LEU  123   7.38 +/- 2.34   8.477% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.013%
          QB    LYS+  66 - HA    LEU  123   6.80 +/- 1.70   5.860% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HA    LEU  123  12.51 +/- 1.39   0.054% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.55 +/- 2.02   0.011% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  15.77 +/- 1.01   0.012% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  19.98 +/- 1.69   0.003% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.63 +/- 1.95   0.006% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.85 +/- 1.82   0.004% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  21.67 +/- 1.53   0.002% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.12 +/- 2.00   0.001% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.16 +/- 1.35   0.001% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.04 +/- 1.23   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  27.45 +/- 0.97   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.4:
    *   T QD1   LEU  123 - HA    LEU  123   2.36 +/- 0.56  98.311% * 99.6081% (1.00 10.00   6.05 200.40) =  99.998%  kept
          QG1   VAL   70 - HA    LEU  123   8.68 +/- 1.85   1.568% *  0.0919% (0.92  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123  10.44 +/- 1.41   0.091% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  14.45 +/- 2.16   0.011% *  0.0996% (1.00  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  13.19 +/- 1.71   0.010% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  13.93 +/- 2.16   0.008% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.4:
    *   T QD2   LEU  123 - HA    LEU  123   2.75 +/- 0.25  99.917% * 99.9316% (1.00 10.00   4.75 200.40) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.43 +/- 0.21   0.073% *  0.0486% (0.49  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HA    LEU  123  13.93 +/- 2.16   0.011% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 200.4:
    * O T HA    LEU  123 - HB2   LEU  123   2.93 +/- 0.10  99.964% * 98.7431% (1.00  10.0 10.00   6.11 200.40) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  16.64 +/- 1.88   0.004% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  12.66 +/- 0.70   0.017% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.59 +/- 1.16   0.005% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  16.45 +/- 2.02   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.74 +/- 0.89   0.005% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  24.41 +/- 2.00   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.23 +/- 1.76   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.42 +/- 2.68   0.000% *  0.0337% (0.34   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 1583 (1.68, 1.68, 43.16 ppm):
    1 diagonal assignment:
    *     HB2   LEU  123 - HB2   LEU  123  (1.00)  kept
 
    Peak 1585 (1.85, 1.68, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.4:
    * O T HG    LEU  123 - HB2   LEU  123   2.38 +/- 0.23  99.792% * 97.8726% (0.69  10.0 10.00   5.42 200.40) = 100.000%  kept
          HG3   PRO   68 - HB2   LEU  123   9.52 +/- 2.40   0.082% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LEU  123   8.22 +/- 1.74   0.112% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  15.21 +/- 0.93   0.002% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.88 +/- 1.31   0.008% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.77 +/- 1.70   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  15.82 +/- 1.76   0.002% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  19.84 +/- 1.45   0.000% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.97 +/- 1.56   0.000% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  22.67 +/- 1.80   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  23.29 +/- 1.43   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.36 +/- 1.31   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  27.67 +/- 1.23   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  27.81 +/- 0.85   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.96, residual support = 200.4:
    * O T QD1   LEU  123 - HB2   LEU  123   2.74 +/- 0.15  99.805% * 99.6081% (1.00  10.0 10.00   5.96 200.40) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.03 +/- 1.77   0.121% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  11.17 +/- 1.63   0.056% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  13.62 +/- 1.90   0.009% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  14.58 +/- 1.66   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  16.14 +/- 2.01   0.004% *  0.0996% (1.00   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 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.4:
    * O T QD2   LEU  123 - HB2   LEU  123   2.92 +/- 0.38  99.736% * 99.4960% (1.00  10.0 10.00   4.85 200.40) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.42 +/- 0.54   0.248% *  0.4843% (0.49   1.0 10.00   0.02   2.19) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  13.62 +/- 1.90   0.017% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 200.4:
    * O T HA    LEU  123 - HG    LEU  123   3.38 +/- 0.65  99.839% * 99.5102% (0.69  10.0 10.00   5.42 200.40) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.18 +/- 1.05   0.084% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.24 +/- 1.13   0.029% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  14.18 +/- 0.77   0.028% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  17.66 +/- 2.06   0.008% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  17.28 +/- 2.22   0.009% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  25.23 +/- 2.10   0.001% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  21.19 +/- 2.14   0.002% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  26.30 +/- 2.90   0.001% *  0.0339% (0.23   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 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 200.4:
    * O T HB2   LEU  123 - HG    LEU  123   2.38 +/- 0.23  99.891% * 96.6014% (0.69  10.0 10.00   5.42 200.40) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.65 +/- 0.44   0.092% *  0.0298% (0.21   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  13.43 +/- 1.34   0.005% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  17.79 +/- 1.28   0.001% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.65 +/- 1.32   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  14.40 +/- 2.19   0.008% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  21.27 +/- 1.96   0.000% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  16.29 +/- 1.49   0.001% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.39 +/- 2.08   0.000% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  20.97 +/- 1.05   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  22.52 +/- 1.50   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  26.67 +/- 1.56   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.4:
    * O T HB3   LEU  123 - HG    LEU  123   2.71 +/- 0.10  99.992% * 97.8109% (0.69  10.0 10.00   5.12 200.40) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.45 +/- 1.50   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.53 +/- 0.92   0.005% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.96 +/- 2.23   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.85 +/- 1.87   0.000% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.20 +/- 2.04   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.4:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.802% * 99.6081% (0.69  10.0 10.00   5.61 200.40) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  10.25 +/- 2.03   0.149% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.65 +/- 1.89   0.045% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.18 +/- 1.73   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.90 +/- 1.93   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.43 +/- 2.27   0.001% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.4:
    * O T QD2   LEU  123 - HG    LEU  123   2.13 +/- 0.01  99.987% * 99.9316% (0.69  10.0 10.00   4.44 200.40) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.68 +/- 0.36   0.012% *  0.0486% (0.33   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HG    LEU  123  14.90 +/- 1.93   0.001% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 200.4:
    *   T HA    LEU  123 - QD1   LEU  123   2.36 +/- 0.56  99.871% * 99.5102% (1.00 10.00   6.05 200.40) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.19 +/- 1.16   0.031% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  10.37 +/- 0.68   0.052% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.84 +/- 0.85   0.023% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.77 +/- 1.58   0.008% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  13.37 +/- 1.68   0.011% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  16.42 +/- 1.73   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  19.96 +/- 1.57   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.75 +/- 2.50   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 5.96, residual support = 200.4:
    * O T HB2   LEU  123 - QD1   LEU  123   2.74 +/- 0.15  98.739% * 99.3293% (1.00  10.0 10.00   5.96 200.40) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.80 +/- 0.16   1.137% *  0.0307% (0.31   1.0  1.00   0.02   2.19) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.12 +/- 1.44   0.053% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  11.34 +/- 1.71   0.032% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.97 +/- 1.31   0.018% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  14.17 +/- 1.32   0.007% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.68 +/- 0.67   0.005% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  17.09 +/- 1.65   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  16.77 +/- 1.08   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  17.05 +/- 1.70   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.43 +/- 1.19   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  21.01 +/- 1.32   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.4:
    * O T HB3   LEU  123 - QD1   LEU  123   2.95 +/- 0.40  99.934% * 99.6484% (1.00  10.0 10.00   5.73 200.40) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.38 +/- 0.92   0.044% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.33 +/- 0.87   0.007% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  14.63 +/- 1.62   0.010% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  18.00 +/- 1.55   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  17.59 +/- 1.78   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.36 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 200.4:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.02  96.282% * 98.8924% (0.69  10.0 10.00   5.61 200.40) =  99.998%  kept
          HG3   PRO   68 - QD1   LEU  123   7.07 +/- 1.93   0.626% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD1   LEU  123   4.99 +/- 1.62   3.067% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123   9.87 +/- 1.17   0.012% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.28 +/- 0.76   0.003% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  11.55 +/- 1.86   0.007% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.47 +/- 1.20   0.000% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  16.99 +/- 1.82   0.000% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.48 +/- 1.36   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.91 +/- 1.38   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.93 +/- 1.23   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.50 +/- 1.18   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  21.78 +/- 1.03   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  21.68 +/- 0.91   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 200.4:
    * O T QD2   LEU  123 - QD1   LEU  123   2.11 +/- 0.04  99.950% * 99.7540% (1.00  10.0 10.00   4.92 200.40) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.63 +/- 0.20   0.045% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  11.81 +/- 1.68   0.004% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 200.4:
    *   T HA    LEU  123 - QD2   LEU  123   2.75 +/- 0.25  99.930% * 99.5102% (1.00 10.00   4.75 200.40) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  11.46 +/- 0.69   0.026% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  12.80 +/- 1.04   0.013% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  12.36 +/- 0.82   0.014% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.73 +/- 1.74   0.005% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  15.28 +/- 1.89   0.007% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  17.73 +/- 2.00   0.003% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  21.82 +/- 1.83   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.63 +/- 2.87   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.85, residual support = 200.4:
    * O T HB2   LEU  123 - QD2   LEU  123   2.92 +/- 0.38  99.619% * 99.0560% (1.00  10.0 10.00   4.85 200.40) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.05 +/- 0.11   0.278% *  0.3057% (0.31   1.0 10.00   0.02   2.19) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  11.18 +/- 1.43   0.056% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  12.84 +/- 1.85   0.022% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  16.15 +/- 1.19   0.005% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.05 +/- 1.25   0.009% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.17 +/- 0.67   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.93 +/- 1.68   0.002% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  18.87 +/- 0.99   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.43 +/- 1.91   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  19.52 +/- 1.24   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  23.44 +/- 1.30   0.000% *  0.0407% (0.41   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 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.4:
    * O T HB3   LEU  123 - QD2   LEU  123   2.33 +/- 0.30  99.991% * 99.6484% (1.00  10.0 10.00   4.43 200.40) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.74 +/- 0.83   0.005% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.86 +/- 0.89   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.60 +/- 1.69   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.55 +/- 1.90   0.001% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.93 +/- 1.77   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 200.4:
    * O T HG    LEU  123 - QD2   LEU  123   2.13 +/- 0.01  99.530% * 98.6685% (0.69  10.0 10.00   4.44 200.40) = 100.000%  kept
          HG3   PRO   68 - QD2   LEU  123   8.11 +/- 2.10   0.158% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  123   6.35 +/- 1.49   0.303% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  13.30 +/- 1.78   0.003% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.17 +/- 1.09   0.003% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  14.41 +/- 0.74   0.001% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.37 +/- 1.78   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  18.76 +/- 1.22   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.85 +/- 1.38   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.08 +/- 1.56   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.72 +/- 1.19   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  20.14 +/- 1.38   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.09 +/- 0.97   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  23.78 +/- 0.80   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 200.4:
    * O T QD1   LEU  123 - QD2   LEU  123   2.11 +/- 0.04  99.881% * 99.6081% (1.00  10.0 10.00   4.92 200.40) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   9.15 +/- 1.60   0.057% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   9.87 +/- 1.63   0.055% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.30 +/- 1.44   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.03 +/- 1.94   0.002% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  13.82 +/- 1.63   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  99.794% * 97.4620% (1.00  10.0 10.00   1.00   9.23) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.89 +/- 0.25   0.039% *  0.0730% (0.07   1.0 10.00   0.02   4.72) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.59 +/- 0.34   0.119% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34   9.97 +/- 0.90   0.011% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.86 +/- 1.08   0.001% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   9.65 +/- 1.15   0.016% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  14.74 +/- 2.61   0.002% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  18.33 +/- 2.23   0.000% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  25.06 +/- 0.98   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  17.85 +/- 0.72   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.02 +/- 1.95   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.09 +/- 0.98   0.011% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  18.86 +/- 0.99   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.63 +/- 1.89   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.83 +/- 1.81   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  21.99 +/- 1.06   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.38 +/- 0.50   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.59 +/- 1.83   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.95 +/- 0.98   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  22.95 +/- 1.24   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  21.43 +/- 2.96   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.77 +/- 1.15   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  17.66 +/- 0.87   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  21.89 +/- 2.95   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.35 +/- 0.85   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  29.61 +/- 1.01   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.35 +/- 1.55   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  23.51 +/- 0.70   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.58 +/- 2.43   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  29.80 +/- 1.04   0.000% *  0.0028% (0.03   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 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.23:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.998% * 98.8388% (1.00  10.0 10.00   1.00   9.23) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  18.33 +/- 2.23   0.000% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.17 +/- 0.54   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.22 +/- 1.96   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.52 +/- 1.49   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.00 +/- 2.63   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.89 +/- 2.20   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  27.02 +/- 1.09   0.000% *  0.0755% (0.76   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 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.48, residual support = 200.4:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.48 200.40) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  18.68 +/- 1.26   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.02 +/- 2.06   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.78 +/- 2.08   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.75 +/- 0.95   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.36 +/- 1.75   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.48, residual support = 200.4:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.983% * 96.4170% (0.99  10.0 10.00   5.48 200.40) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.87 +/- 0.73   0.016% *  0.0365% (0.38   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  14.56 +/- 1.35   0.000% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  18.91 +/- 0.92   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  20.98 +/- 1.95   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  20.65 +/- 2.05   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  13.69 +/- 2.16   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.75 +/- 1.54   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  19.40 +/- 1.74   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  27.67 +/- 1.73   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.49 +/- 1.60   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  23.31 +/- 1.42   0.000% *  0.0551% (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 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 200.4:
    * O T QD1   LEU  123 - HB3   LEU  123   2.95 +/- 0.40  99.813% * 99.6081% (1.00  10.0 10.00   5.73 200.40) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.33 +/- 1.94   0.117% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.73 +/- 1.94   0.044% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.49 +/- 1.98   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  14.83 +/- 1.82   0.009% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  16.33 +/- 2.15   0.006% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 200.4:
    * O T QD2   LEU  123 - HB3   LEU  123   2.33 +/- 0.30  99.942% * 99.9316% (1.00  10.0 10.00   4.43 200.40) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.44 +/- 0.68   0.054% *  0.0486% (0.49   1.0  1.00   0.02   2.19) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  14.49 +/- 1.98   0.004% *  0.0198% (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 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.12, residual support = 200.4:
    * O T HG    LEU  123 - HB3   LEU  123   2.71 +/- 0.10  99.571% * 95.7694% (0.69  10.0 10.00   5.12 200.40) =  99.997%  kept
        T HG3   PRO   68 - HB3   LEU  123   9.57 +/- 2.50   0.208% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HB3   LEU  123   8.32 +/- 1.66   0.198% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.86 +/- 1.44   0.012% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.15 +/- 2.16   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  23.57 +/- 1.44   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  16.09 +/- 1.16   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  16.49 +/- 2.26   0.004% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  20.74 +/- 1.68   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.83 +/- 1.91   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.36 +/- 1.87   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  24.09 +/- 1.61   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  28.53 +/- 1.56   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  28.44 +/- 1.21   0.000% *  0.0789% (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 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 200.4:
    * O T HA    LEU  123 - HB3   LEU  123   2.66 +/- 0.17  99.980% * 99.5102% (1.00  10.0 10.00   5.50 200.40) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  13.47 +/- 1.06   0.009% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.16 +/- 1.46   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.23 +/- 2.04   0.002% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.95 +/- 2.12   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  16.05 +/- 0.97   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.84 +/- 2.04   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.23 +/- 1.74   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.21 +/- 2.68   0.000% *  0.0339% (0.34   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 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.996, support = 5.54, residual support = 316.1:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  98.216% * 76.1572% (1.00  10.0   5.54 316.12) =  99.448%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.80 +/- 0.42   1.768% * 23.5057% (0.31  10.0   7.07 316.12) =   0.552%  kept
          HG    LEU  104 - HD3   LYS+ 121   9.82 +/- 2.30   0.010% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.56 +/- 2.02   0.001% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.18 +/- 2.81   0.003% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  12.38 +/- 2.45   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.21 +/- 1.87   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.36 +/- 2.10   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.18 +/- 2.12   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.59 +/- 2.20   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 = 316.1:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.71 +/- 0.32  98.932% * 99.7211% (1.00  10.0   6.28 316.12) =  99.999%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.39 +/- 1.53   0.906% *  0.0921% (0.92   1.0   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   8.85 +/- 0.73   0.130% *  0.0308% (0.31   1.0   0.02   2.64) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  12.15 +/- 2.08   0.030% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.45 +/- 1.86   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  20.96 +/- 2.83   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 316.1:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.51 +/- 0.28  99.936% * 98.9917% (1.00  10.0 10.00   5.98 316.12) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.01 +/- 0.98   0.018% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.65 +/- 0.39   0.043% *  0.0482% (0.49   1.0  1.00   0.02   2.19) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.96 +/- 2.53   0.002% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  20.77 +/- 3.23   0.000% *  0.0220% (0.22   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 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 316.1:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.12 +/- 0.22  99.624% * 99.2313% (1.00  10.0  1.00   7.08 316.12) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.61 +/- 0.78   0.309% *  0.0306% (0.31   1.0  1.00   0.02   2.19) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  14.24 +/- 2.82   0.023% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  14.70 +/- 1.74   0.012% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.58 +/- 1.75   0.005% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  17.59 +/- 2.38   0.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  15.27 +/- 1.99   0.011% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.34 +/- 1.27   0.008% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.04 +/- 2.30   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  22.27 +/- 2.28   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 316.1:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.43 +/- 0.13  99.594% * 99.7880% (1.00  10.0   5.89 316.12) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.55 +/- 1.35   0.406% *  0.0833% (0.84   1.0   0.02  50.25) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  23.03 +/- 2.92   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  25.42 +/- 2.82   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  24.84 +/- 2.00   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 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 316.0:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.20 +/- 0.60  64.679% * 99.1042% (1.00 10.00   6.63 316.12) =  99.955%  kept
          QB    SER  117 - HD3   LYS+ 121   5.43 +/- 1.98  32.662% *  0.0828% (0.84  1.00   0.02   0.02) =   0.042%
          HA    ALA  120 - HD3   LYS+ 121   7.64 +/- 0.54   2.160% *  0.0757% (0.76  1.00   0.02   1.92) =   0.003%
        T HA    LYS+  65 - HD3   LYS+ 121  16.57 +/- 2.08   0.054% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  12.48 +/- 1.69   0.348% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.44 +/- 1.31   0.058% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  18.97 +/- 2.77   0.028% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  22.99 +/- 1.31   0.004% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.60 +/- 1.22   0.002% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  23.04 +/- 1.46   0.005% *  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 = 7.73, residual support = 316.1:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.78 +/- 0.09  99.642% * 99.7211% (0.84  10.0 10.00   7.73 316.12) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.52 +/- 0.76   0.173% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.22 +/- 0.37   0.164% *  0.0308% (0.26   1.0  1.00   0.02   2.64) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.13 +/- 1.38   0.019% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  19.65 +/- 1.22   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.44 +/- 1.79   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 316.1:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.32 +/- 0.11  99.939% * 99.5295% (0.84  10.0 10.00   7.06 316.12) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.39 +/- 0.11   0.047% *  0.0484% (0.41   1.0  1.00   0.02   2.19) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  10.89 +/- 0.68   0.012% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  15.33 +/- 1.89   0.002% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  20.23 +/- 2.29   0.000% *  0.0222% (0.19   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 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.86, residual support = 316.1:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.973% * 97.1314% (0.84  10.0 10.00   8.86 316.12) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.10 +/- 0.53   0.025% *  0.0300% (0.26   1.0  1.00   0.02   2.19) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  15.54 +/- 1.30   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.67 +/- 1.79   0.000% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  17.05 +/- 1.62   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.17 +/- 1.49   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  15.34 +/- 1.45   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  14.95 +/- 0.90   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.11 +/- 1.87   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  21.96 +/- 1.59   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 = 0.819, support = 6.79, residual support = 284.4:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.05 +/- 0.43  82.002% * 61.0570% (0.84  1.00   7.01 316.12) =  88.086%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.72 +/- 1.07  17.991% * 37.6413% (0.70  1.00   5.17  50.25) =  11.914%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.20 +/- 1.61   0.003% *  1.1967% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  24.94 +/- 1.82   0.002% *  0.0781% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  24.37 +/- 1.81   0.002% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 316.1:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.67 +/- 0.24  98.337% * 99.1042% (0.84  10.0 10.00   8.25 316.12) =  99.999%  kept
          QB    SER  117 - HB3   LYS+ 121   6.06 +/- 0.75   0.890% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   LYS+ 121   6.15 +/- 0.22   0.741% *  0.0757% (0.64   1.0  1.00   0.02   1.92) =   0.001%
        T HA    LYS+  65 - HB3   LYS+ 121  15.30 +/- 1.62   0.005% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  11.71 +/- 1.20   0.021% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.41 +/- 0.76   0.003% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  17.72 +/- 1.89   0.002% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  22.80 +/- 1.10   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.53 +/- 1.06   0.000% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.01 +/- 1.00   0.000% *  0.0407% (0.34   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 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 8.68, residual support = 316.1:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  75.691% * 55.3563% (0.84  10.0 10.00   8.86 316.12) =  80.086%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.19 +/- 0.39  24.302% * 42.8727% (0.65  10.0 10.00   7.98 316.12) =  19.914%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.77 +/- 2.04   0.003% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.41 +/- 1.71   0.003% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.39 +/- 1.28   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.28 +/- 1.54   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.10 +/- 1.62   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.01 +/- 1.31   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.45 +/- 1.05   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 = 0.77, support = 8.0, residual support = 307.9:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.67 +/- 0.24  37.212% * 52.0655% (0.84  10.0 10.00   8.25 316.12) =  82.681%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.69 +/- 0.33   6.993% * 40.3240% (0.65   1.0 10.00   7.51 316.12) =  12.034%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.54 +/- 0.50  55.185% *  2.2150% (0.04  10.0 10.00   5.27 162.61) =   5.216%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.95 +/- 0.62   0.421% *  3.7757% (0.06   1.0 10.00   5.46  25.22) =   0.068%
        T QD    LYS+  66 - HA    LYS+ 121  11.19 +/- 2.18   0.017% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65   7.91 +/- 2.25   0.123% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.19 +/- 1.75   0.011% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.90 +/- 1.45   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.23 +/- 1.72   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.31 +/- 1.02   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.30 +/- 1.62   0.002% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65   9.35 +/- 1.76   0.029% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  15.58 +/- 1.87   0.001% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  13.69 +/- 1.07   0.002% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.09 +/- 0.97   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.15 +/- 1.36   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.70 +/- 1.79   0.001% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  21.18 +/- 1.50   0.000% *  0.0028% (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 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.961, support = 6.58, residual support = 310.1:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.20 +/- 0.60  21.921% * 97.6597% (1.00   1.0 10.00   6.63 316.12) =  96.086%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.20 +/- 0.47  71.874% *  1.2130% (0.01  10.0 10.00   5.27 162.61) =   3.913%  kept
          QB    ALA   61 - HA    LYS+  65   5.61 +/- 0.55   3.905% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.15 +/- 0.72   1.758% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.50 +/- 1.21   0.019% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  11.69 +/- 1.05   0.049% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  10.05 +/- 1.58   0.147% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  16.98 +/- 1.44   0.004% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.31 +/- 1.74   0.040% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  14.88 +/- 1.69   0.014% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.57 +/- 2.08   0.005% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.63 +/- 0.65   0.010% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.22 +/- 1.28   0.060% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.25 +/- 1.74   0.001% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65   9.92 +/- 0.90   0.104% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.64 +/- 1.14   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  15.31 +/- 2.91   0.026% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.00 +/- 1.82   0.005% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  21.63 +/- 1.96   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  25.03 +/- 1.22   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  15.51 +/- 0.82   0.007% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  12.01 +/- 1.07   0.037% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.71 +/- 2.72   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  25.45 +/- 1.80   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.34 +/- 1.39   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  18.11 +/- 1.02   0.003% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  17.80 +/- 1.64   0.004% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.57 +/- 1.25   0.003% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 227.8:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.732% * 98.6779% (1.00  10.0 10.00   6.14 227.80) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.04 +/- 0.38   0.198% *  0.0305% (0.31   1.0  1.00   0.02  14.57) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   7.92 +/- 1.45   0.027% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   9.11 +/- 1.80   0.010% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.12 +/- 1.43   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   8.63 +/- 2.11   0.027% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.20 +/- 1.31   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  11.35 +/- 1.51   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  16.62 +/- 1.60   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  16.49 +/- 1.95   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.87 +/- 1.06   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.25 +/- 0.86   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  21.02 +/- 1.22   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.58 +/- 1.08   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.58 +/- 1.02   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  27.02 +/- 0.98   0.000% *  0.0032% (0.03   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 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  99.993% * 98.3538% (1.00  10.0 10.00   6.24 231.85) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.02 +/- 1.55   0.006% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.17 +/- 1.17   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.74 +/- 0.70   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  19.26 +/- 1.89   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.75 +/- 1.56   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.58 +/- 1.27   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.49 +/- 1.23   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  25.77 +/- 1.82   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  21.10 +/- 0.83   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  22.04 +/- 1.14   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.24 +/- 1.20   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  31.90 +/- 1.17   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  31.46 +/- 3.29   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.93, support = 4.37, residual support = 231.9:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  90.668% * 56.6026% (0.95  10.0   4.27 231.85) =  92.714%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.05 +/- 0.77   9.324% * 43.2573% (0.72  10.0   5.69 231.85) =   7.286%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.76 +/- 0.86   0.008% *  0.0212% (0.36   1.0   0.02  28.08) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  14.25 +/- 0.87   0.000% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.78 +/- 1.31   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  26.86 +/- 1.57   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 = 0.997, support = 6.81, residual support = 313.0:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  76.840% * 97.3629% (1.00  10.0   6.85 315.01) =  99.364%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.91 +/- 1.44  23.159% *  2.0671% (0.57   1.0   0.75   2.33) =   0.636%  kept
          HB    ILE  119 - HB3   LYS+ 111  11.40 +/- 0.92   0.001% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.04 +/- 2.13   0.000% *  0.0845% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  21.40 +/- 2.38   0.000% *  0.0400% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  26.07 +/- 1.72   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  26.93 +/- 1.70   0.000% *  0.0965% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  25.48 +/- 1.76   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  27.00 +/- 2.12   0.000% *  0.0474% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  31.23 +/- 2.08   0.000% *  0.0873% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.44 +/- 2.26   0.000% *  0.0271% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  26.09 +/- 2.07   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.61, residual support = 60.3:
    * O T QG1   VAL  107 - HA    VAL  107   2.20 +/- 0.36  99.956% * 99.5482% (1.00  10.0 10.00   4.61  60.28) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  12.16 +/- 1.12   0.007% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.90 +/- 0.65   0.024% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.52 +/- 1.24   0.012% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  18.08 +/- 1.07   0.001% *  0.2482% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.61 +/- 1.47   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.20 +/- 1.02   0.000% *  0.0174% (0.18   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 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 60.3:
    * O T QG2   VAL  107 - HA    VAL  107   2.69 +/- 0.24  99.878% * 99.7501% (1.00  10.0 10.00   3.63  60.28) = 100.000%  kept
          HG13  ILE  103 - HA    VAL  107  10.03 +/- 0.62   0.046% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    VAL  107  10.95 +/- 0.95   0.029% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.90 +/- 0.65   0.046% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  19.61 +/- 0.65   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.20 +/- 1.02   0.001% *  0.0135% (0.14   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 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.2, residual support = 42.0:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.01 +/- 0.05  89.906% * 83.8594% (1.00  10.0 10.00   3.19  42.34) =  98.179%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.49 +/- 0.31   9.012% * 15.5065% (0.87   1.0  1.00   4.26  21.49) =   1.820%  kept
          HB    ILE  103 - HA    ASP- 105   6.98 +/- 0.27   0.609% *  0.0831% (0.99   1.0  1.00   0.02   2.48) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.38 +/- 0.44   0.446% *  0.0129% (0.15   1.0  1.00   0.02   2.48) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  16.11 +/- 2.60   0.007% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.73 +/- 1.40   0.005% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  15.11 +/- 1.33   0.006% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.85 +/- 1.85   0.002% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.72 +/- 0.81   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  20.96 +/- 1.15   0.001% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.89 +/- 0.74   0.002% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.05 +/- 1.46   0.000% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.92 +/- 1.17   0.001% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.64 +/- 1.23   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.36, residual support = 42.3:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.983% * 99.5527% (0.95  10.0 10.00   3.36  42.34) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.80 +/- 0.94   0.007% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   9.27 +/- 1.46   0.007% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.85 +/- 1.02   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.43 +/- 0.94   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.78 +/- 1.00   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.10 +/- 0.88   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.05 +/- 1.50   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.81 +/- 1.24   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.87, residual support = 141.5:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.973% * 66.9933% (1.00  10.0  1.00   4.69 136.21) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.973% * 32.5339% (0.49  10.0  1.00   5.24 152.35) =  32.688%  kept
          HD3   LYS+  74 - HG3   LYS+  65   7.08 +/- 2.35   0.051% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.10 +/- 2.38   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.82 +/- 1.55   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.35 +/- 1.21   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.78 +/- 1.61   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  18.18 +/- 1.83   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.05 +/- 2.13   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  19.85 +/- 2.07   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  20.42 +/- 1.11   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.00 +/- 2.38   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.78 +/- 1.47   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  16.87 +/- 1.11   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.68 +/- 1.28   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.87 +/- 2.49   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.14 +/- 1.56   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.31 +/- 1.51   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.01 +/- 1.29   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.47 +/- 2.06   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 138.1:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.955% * 99.2815% (0.80  10.0 10.00   4.31 138.11) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.64 +/- 0.33   0.036% *  0.0900% (0.73   1.0  1.00   0.02  22.41) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.62 +/- 0.86   0.009% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  14.89 +/- 0.96   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  15.97 +/- 1.30   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  15.20 +/- 1.05   0.000% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  17.68 +/- 0.76   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  19.34 +/- 1.34   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.77 +/- 1.37   0.000% *  0.0652% (0.53   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 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 = 5.67, residual support = 187.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.955% * 99.4757% (0.80  10.0   5.67 187.65) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.04 +/- 0.77   0.031% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74   9.17 +/- 2.08   0.012% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  11.85 +/- 1.98   0.002% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.63 +/- 1.08   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  18.87 +/- 1.71   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.87 +/- 1.15   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.85 +/- 1.10   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  17.71 +/- 1.41   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  20.15 +/- 1.49   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 = 5.13, residual support = 214.9:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.999% * 99.3078% (1.00  10.0 10.00   5.13 214.85) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  13.24 +/- 1.54   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.89 +/- 1.99   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  19.98 +/- 1.50   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  20.21 +/- 1.34   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  19.61 +/- 1.23   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  19.04 +/- 1.18   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.07 +/- 1.21   0.000% *  0.0307% (0.31   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 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  99.891% * 99.6237% (1.00  10.0 10.00   2.81  24.31) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   7.72 +/- 1.13   0.067% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.18 +/- 0.96   0.023% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57   9.95 +/- 1.51   0.015% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  13.53 +/- 1.43   0.002% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  13.69 +/- 1.21   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  16.45 +/- 1.95   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.12 +/- 1.09   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  21.44 +/- 0.74   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  28.05 +/- 3.01   0.000% *  0.0154% (0.15   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 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.1:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.14) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51   9.93 +/- 0.67   0.003% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.83 +/- 0.84   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  19.62 +/- 1.79   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.16 +/- 1.55   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  16.78 +/- 0.61   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.99 +/- 0.89   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.37 +/- 1.12   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  32.71 +/- 0.61   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  40.40 +/- 3.89   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.4:
    * O T QG2   VAL   24 - QG1   VAL   24   2.02 +/- 0.07  99.999% * 99.5951% (1.00  10.0 10.00   2.70  65.39) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  16.00 +/- 0.96   0.000% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  17.43 +/- 1.32   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  24.38 +/- 1.40   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 153.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.988% * 99.4743% (1.00  10.0 10.00   6.13 153.17) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.83 +/- 0.47   0.007% *  0.0918% (0.92   1.0  1.00   0.02   8.50) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  11.70 +/- 2.78   0.003% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  12.65 +/- 1.96   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  19.96 +/- 2.81   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  21.71 +/- 0.73   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  19.43 +/- 1.64   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  16.29 +/- 1.15   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  28.55 +/- 1.67   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  14.65 +/- 1.23   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  23.00 +/- 0.91   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.45 +/- 2.01   0.000% *  0.0185% (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 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 = 4.58, residual support = 152.4:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.83 +/- 0.33  93.632% * 99.0807% (1.00  10.0   4.58 152.35) =  99.998%  kept
          HB2   ASP-  78 - QG    LYS+  81   4.87 +/- 0.50   4.804% *  0.0307% (0.31   1.0   0.02   0.94) =   0.002%
          HB2   ASP-  76 - QG    LYS+  81   6.34 +/- 0.67   1.158% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.98 +/- 0.83   0.213% *  0.0338% (0.34   1.0   0.02   1.15) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.16 +/- 0.81   0.066% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.70 +/- 0.33   0.069% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  12.88 +/- 1.93   0.021% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.30 +/- 0.86   0.008% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  16.94 +/- 2.38   0.003% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  16.31 +/- 2.22   0.004% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  17.78 +/- 0.77   0.002% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  14.51 +/- 1.80   0.007% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.37 +/- 1.89   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.49 +/- 1.12   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.74 +/- 1.51   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  17.30 +/- 1.24   0.003% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.29 +/- 1.49   0.001% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  21.87 +/- 1.41   0.001% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  20.96 +/- 1.82   0.001% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  19.59 +/- 1.45   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.64 +/- 1.65   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  18.40 +/- 1.55   0.002% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.37 +/- 1.51   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  24.99 +/- 0.53   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 152.4:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.25 +/- 0.06  99.997% * 98.2551% (1.00  10.0 10.00   5.70 152.35) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  17.67 +/- 0.63   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.00 +/- 1.20   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  14.98 +/- 0.75   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  15.83 +/- 0.95   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.38 +/- 1.50   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.80 +/- 1.90   0.000% *  0.0478% (0.49   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 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 220.2:
    *     QE    LYS+  38 - HA    LYS+  38   4.56 +/- 0.36  58.342% * 93.9854% (1.00  1.00   4.83 221.86) =  99.097%  kept
          QE    LYS+  99 - HA    GLU- 100   6.15 +/- 0.49  11.140% *  4.2593% (0.05  1.00   4.04  39.76) =   0.858%  kept
          QE    LYS+  99 - HA    LYS+  38   7.63 +/- 1.18   5.147% *  0.3493% (0.90  1.00   0.02   0.02) =   0.032%
          QE    LYS+  38 - HA    GLU- 100   5.60 +/- 1.00  23.407% *  0.0235% (0.06  1.00   0.02   0.02) =   0.010%
          QE    LYS+ 102 - HA    LYS+  38  11.37 +/- 1.01   0.277% *  0.3595% (0.92  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.60 +/- 0.41   1.358% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  16.15 +/- 0.60   0.030% *  0.8671% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    LYS+  38  14.19 +/- 0.59   0.066% *  0.0771% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.59 +/- 0.98   0.027% *  0.0524% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.73 +/- 0.40   0.205% *  0.0047% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.04 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 = 0.917, support = 4.62, residual support = 158.8:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.36 +/- 0.36  57.148% * 54.8141% (1.00  10.0 10.00   4.28 162.61) =  63.342%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.60 +/- 0.55  42.706% * 42.4513% (0.77  10.0 10.00   5.21 152.35) =  36.658%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.28 +/- 0.42   0.111% *  0.0287% (0.52   1.0  1.00   0.02   1.15) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.64 +/- 1.59   0.013% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.79 +/- 2.54   0.001% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  17.85 +/- 2.19   0.001% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  16.55 +/- 2.04   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.36 +/- 2.47   0.011% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  13.57 +/- 1.58   0.004% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  18.99 +/- 1.42   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.27 +/- 1.23   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.50 +/- 2.08   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  23.97 +/- 1.27   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  18.34 +/- 2.76   0.001% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  16.88 +/- 2.58   0.001% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.48 +/- 1.54   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  22.08 +/- 0.94   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  22.56 +/- 1.46   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  19.05 +/- 1.38   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.38 +/- 1.33   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.90 +/- 1.31   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.08 +/- 1.52   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.46 +/- 1.46   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  27.74 +/- 1.56   0.000% *  0.0167% (0.31   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 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 = 4.3, residual support = 91.0:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.39 +/- 0.22  99.987% * 99.1144% (1.00  10.0 10.00   4.30  91.03) = 100.000%  kept
        T QG    GLN   90 - HG3   GLU-  29  20.25 +/- 1.94   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  13.96 +/- 1.51   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG3   GLU-  29  14.78 +/- 2.43   0.003% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.66 +/- 0.98   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  14.88 +/- 1.85   0.003% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.44 +/- 1.64   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.88 +/- 1.30   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.81 +/- 1.64   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  26.20 +/- 1.24   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.78 +/- 1.81   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 91.0:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.08  91.03) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.50 +/- 1.33   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  19.67 +/- 1.01   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.08 +/- 1.48   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  25.93 +/- 1.49   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  25.47 +/- 1.17   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  31.17 +/- 2.35   0.000% *  0.0645% (0.65   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 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   2.44 +/- 0.08  99.957% * 98.5118% (0.76  10.0 10.00   4.31  84.31) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17   9.44 +/- 1.15   0.040% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.36 +/- 1.02   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.88 +/- 1.49   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  17.57 +/- 1.97   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.87 +/- 0.70   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.19 +/- 1.45   0.000% *  0.0440% (0.34   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 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   2.74 +/- 0.25  94.972% * 99.5390% (1.00  10.0 10.00   4.00  84.31) =  99.997%  kept
          HA    GLU-  15 - HB3   GLN   17   4.92 +/- 0.58   4.900% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HA    SER   13 - HB3   GLN   17   9.49 +/- 1.18   0.103% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  14.60 +/- 1.68   0.006% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  13.88 +/- 0.99   0.007% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  13.79 +/- 1.37   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  16.58 +/- 1.65   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  18.95 +/- 1.53   0.001% *  0.0987% (0.99   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 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  99.902% * 97.4347% (1.00  10.0 10.00   4.00  84.31) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.11 +/- 0.43   0.061% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17   9.74 +/- 2.53   0.018% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  11.55 +/- 1.23   0.002% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   8.15 +/- 0.57   0.011% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  10.85 +/- 2.17   0.005% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.77 +/- 1.12   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.56 +/- 0.66   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.97 +/- 1.13   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  18.98 +/- 1.91   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.93 +/- 1.69   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  27.49 +/- 1.68   0.000% *  0.0966% (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 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 = 0.889, support = 3.14, residual support = 47.0:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.24  63.473% * 72.0932% (1.00  10.0 10.00   2.96  47.32) =  82.421%  kept
      O T HG3   MET   11 - HA    MET   11   3.17 +/- 0.69  36.467% * 26.7625% (0.37  10.0 10.00   4.00  45.35) =  17.579%  kept
        T HG3   MET   11 - HA    GLU-  14  10.92 +/- 0.98   0.027% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.56 +/- 0.97   0.031% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.13 +/- 1.24   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.54 +/- 1.03   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.31 +/- 2.41   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  24.09 +/- 2.06   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  31.02 +/- 1.59   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  31.52 +/- 1.54   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  31.53 +/- 3.87   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  40.02 +/- 2.48   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 62.2:
    * O T HB2   MET   92 - HA    MET   92   2.84 +/- 0.24  99.540% * 99.5277% (1.00  10.0 10.00   3.87  62.18) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   8.98 +/- 1.45   0.194% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.34 +/- 0.60   0.190% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.06 +/- 1.84   0.041% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.38 +/- 0.27   0.026% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  14.71 +/- 1.52   0.008% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  22.45 +/- 1.24   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.95 +/- 0.68   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.63 +/- 1.04   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  30.43 +/- 1.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  39.06 +/- 3.26   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 = 4.22, residual support = 61.7:
    * O T HB3   MET   92 - HA    MET   92   2.80 +/- 0.19  95.684% * 83.8267% (1.00  10.0 10.00   4.22  62.18) =  99.209%  kept
          HG3   PRO   93 - HA    MET   92   4.93 +/- 0.67   4.110% * 15.5553% (0.76   1.0  1.00   4.86   1.67) =   0.791%  kept
          QG1   ILE   56 - HA    MET   92   8.25 +/- 0.67   0.174% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.34 +/- 1.48   0.017% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  12.69 +/- 0.67   0.012% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  19.49 +/- 1.50   0.001% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.47 +/- 0.48   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.66 +/- 1.65   0.001% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  22.81 +/- 1.13   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.34 +/- 1.18   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 62.2:
    * O T HG2   MET   92 - HA    MET   92   2.71 +/- 0.39  68.993% * 99.5593% (1.00  10.0 10.00   2.49  62.18) =  99.971%  kept
          HG2   PRO   52 - HA    MET   92   4.01 +/- 1.71  30.947% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.029%
          QG    GLU- 114 - HA    MET   92  10.64 +/- 1.48   0.057% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  15.06 +/- 1.93   0.003% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.31 +/- 1.97   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  32.35 +/- 1.02   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  34.75 +/- 2.53   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.2:
    * O T HG3   MET   92 - HA    MET   92   3.06 +/- 0.65  99.251% * 99.3565% (1.00  10.0 10.00   3.97  62.18) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   8.28 +/- 0.69   0.644% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  13.04 +/- 0.66   0.034% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  13.54 +/- 1.83   0.043% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  14.54 +/- 1.20   0.016% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.44 +/- 0.62   0.007% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  19.20 +/- 0.91   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  26.16 +/- 1.64   0.000% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.09 +/- 0.73   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  27.10 +/- 2.05   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  26.55 +/- 1.50   0.000% *  0.0134% (0.14   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 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 = 1.91, residual support = 6.05:
          HB    VAL  108 - QB    LYS+ 106   4.21 +/- 0.12  96.649% * 85.1693% (0.92  1.00   1.91   6.05) =  99.975%  kept
          HB2   PRO   93 - QB    LYS+ 106   8.36 +/- 0.95   2.262% *  0.5469% (0.57  1.00   0.02   0.02) =   0.015%
        T HB2   GLN   30 - QB    LYS+ 106  15.97 +/- 1.35   0.038% *  9.6606% (1.00 10.00   0.02   0.02) =   0.005%
          HB    ILE  119 - QB    LYS+ 106  12.31 +/- 0.97   0.180% *  0.9661% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - QB    LYS+ 106  10.17 +/- 1.50   0.737% *  0.2151% (0.22  1.00   0.02   0.02) =   0.002%
          HB3   GLU- 100 - QB    LYS+ 106  15.22 +/- 0.48   0.045% *  0.9575% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.21 +/- 1.51   0.025% *  0.8380% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QB    LYS+ 106  18.14 +/- 1.00   0.017% *  0.8380% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.56 +/- 1.63   0.023% *  0.4702% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.99 +/- 0.74   0.012% *  0.1692% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  19.31 +/- 1.24   0.012% *  0.1692% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 7 structures by 0.86 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   2.19 +/- 0.01  99.963% * 99.8873% (0.76  10.0   4.64  27.20) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   8.43 +/- 0.74   0.036% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  16.12 +/- 1.01   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 5.25, residual support = 84.4:
      O   HN    VAL   75 - HA    VAL   75   2.91 +/- 0.02  99.521% * 99.8946% (0.90  10.0   5.25  84.41) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.12 +/- 0.29   0.479% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 18.4:
          HA    PHE   45 - HB    VAL   75   3.58 +/- 0.19  99.717% * 89.9031% (0.45   0.75  18.41) =  99.984%  kept
          HA    VAL   41 - HB    VAL   75   9.79 +/- 0.70   0.271% *  5.1606% (0.97   0.02   0.02) =   0.016%
          HA    HIS  122 - HB    VAL   75  16.25 +/- 0.75   0.013% *  4.9363% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.14, residual support = 18.4:
          QD    PHE   45 - HB    VAL   75   3.84 +/- 0.37  99.918% * 98.5815% (0.87   2.14  18.41) =  99.999%  kept
          HD2   HIS  122 - HB    VAL   75  13.06 +/- 0.60   0.075% *  0.7305% (0.69   0.02   0.02) =   0.001%
          HE22  GLN  116 - HB    VAL   75  19.56 +/- 1.29   0.007% *  0.6880% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 1 structures by 0.23 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.797, support = 0.0199, residual support = 0.312:
        T HZ    PHE   72 - HB    VAL   75   5.90 +/- 0.29  83.942% * 97.5882% (0.80 10.00   0.02   0.31) =  99.529%  kept
          HZ2   TRP   27 - HB    VAL   75   8.32 +/- 1.61  16.058% *  2.4118% (0.20  1.00   0.02   1.17) =   0.471%
    Distance limit 4.05 A violated in 20 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.49, residual support = 84.4:
      O   HN    VAL   75 - HB    VAL   75   2.21 +/- 0.12  99.966% * 99.9348% (0.99  10.0   4.49  84.41) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.45 +/- 0.24   0.034% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.43, residual support = 18.4:
        T QE    PHE   45 - QG1   VAL   75   2.99 +/- 0.38  96.688% * 99.5846% (0.34 10.00   2.43  18.41) =  99.994%  kept
          QD    PHE   72 - QG1   VAL   75   5.72 +/- 0.29   2.305% *  0.1536% (0.53  1.00   0.02   0.31) =   0.004%
          HZ    PHE   72 - QG1   VAL   75   6.68 +/- 0.08   1.007% *  0.2618% (0.90  1.00   0.02   0.31) =   0.003%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.11, residual support = 18.4:
          QD    PHE   45 - QG1   VAL   75   2.32 +/- 0.27  99.992% * 99.5828% (1.00   3.11  18.41) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  11.96 +/- 0.46   0.007% *  0.2190% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  16.87 +/- 1.02   0.001% *  0.1982% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 5.17, residual support = 82.3:
          HN    VAL   75 - QG1   VAL   75   3.50 +/- 0.09  94.100% * 70.6899% (0.90   5.25  84.41) =  97.466%  kept
          HN    ASP-  78 - QG1   VAL   75   5.58 +/- 0.18   5.900% * 29.3101% (0.95   2.07   0.02) =   2.534%  kept
    Distance limit 3.76 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   3.08 +/- 0.12  99.823% * 99.1034% (0.41   4.97  27.20) =  99.999%  kept
          HN    VAL  108 - QG1   VAL   75  10.91 +/- 1.02   0.060% *  0.7046% (0.73   0.02   0.02) =   0.000%
          HN    HIS   22 - QG1   VAL   75   9.64 +/- 0.55   0.117% *  0.1920% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.751, support = 0.02, residual support = 0.02:
          HB2   CYS   21 - QG2   VAL   75   5.86 +/- 1.21  90.812% * 67.1992% (0.76   0.02   0.02) =  97.724%  kept
          QE    LYS+  81 - QG2   VAL   75   9.43 +/- 0.85   8.861% * 15.3994% (0.18   0.02   0.02) =   2.185%  kept
          QE    LYS+ 111 - QG2   VAL   75  16.57 +/- 0.60   0.327% * 17.4014% (0.20   0.02   0.02) =   0.091%
    Distance limit 3.61 A violated in 19 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 14.2:
          HZ    PHE   45 - QG2   VAL   75   4.25 +/- 1.26  64.596% * 63.0260% (0.76   0.75  18.41) =  75.670%  kept
          HZ3   TRP   27 - QG2   VAL   75   4.97 +/- 2.30  35.404% * 36.9740% (0.45   0.75   1.17) =  24.330%  kept
    Distance limit 3.31 A violated in 2 structures by 0.55 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.967, support = 1.86, residual support = 15.3:
          QE    PHE   45 - QG2   VAL   75   3.64 +/- 0.68  55.097% * 75.1956% (0.97   2.12  18.41) =  82.803%  kept
          QD    PHE   72 - QG2   VAL   75   3.94 +/- 0.87  38.183% * 22.0495% (1.00   0.60   0.31) =  16.827%  kept
          HZ    PHE   72 - QG2   VAL   75   6.04 +/- 0.40   6.720% *  2.7549% (0.25   0.30   0.31) =   0.370%
    Distance limit 3.78 A violated in 2 structures by 0.13 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 0.518, residual support = 1.16:
          HE3   TRP   27 - QG2   VAL   75   4.90 +/- 2.18  80.303% * 84.0797% (0.80   0.52   1.17) =  99.065%  kept
          QE    PHE   95 - QG2   VAL   75   7.22 +/- 0.86  10.039% *  3.9346% (0.98   0.02   0.02) =   0.580%  kept
          HN    THR   23 - QG2   VAL   75   7.59 +/- 1.30   3.932% *  3.8738% (0.97   0.02   0.02) =   0.223%
          HN    LEU   67 - QG2   VAL   75  10.75 +/- 1.07   2.117% *  2.5967% (0.65   0.02   0.02) =   0.081%
          HD2   HIS   22 - QG2   VAL   75   8.39 +/- 1.15   3.023% *  0.7944% (0.20   0.02   0.02) =   0.035%
          QD    PHE   55 - QG2   VAL   75  14.42 +/- 1.02   0.171% *  3.4819% (0.87   0.02   0.02) =   0.009%
          HD1   TRP   49 - QG2   VAL   75  12.81 +/- 1.16   0.414% *  1.2389% (0.31   0.02   0.02) =   0.008%
    Distance limit 3.50 A violated in 6 structures by 0.90 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.1, residual support = 84.4:
          HN    VAL   75 - QG2   VAL   75   3.02 +/- 0.30  99.514% * 99.5881% (0.90   5.10  84.41) =  99.998%  kept
          HN    ASP-  78 - QG2   VAL   75   7.41 +/- 0.50   0.486% *  0.4119% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   5.11 +/- 1.27  99.099% * 48.3894% (0.61   0.02   0.02) =  99.040%  kept
          HN    VAL  108 - QG2   VAL   75  12.45 +/- 1.02   0.901% * 51.6106% (0.65   0.02   0.02) =   0.960%  kept
    Distance limit 3.94 A violated in 6 structures by 1.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.3:
      O   HN    ASP-  76 - HB3   ASP-  76   3.14 +/- 0.35  99.995% * 99.4520% (0.15  10.0   3.75  36.30) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.11 +/- 1.41   0.005% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 3.72, residual support = 36.3:
      O   HN    ASP-  76 - HB2   ASP-  76   2.68 +/- 0.44  99.755% * 99.6604% (0.41  10.0   3.72  36.30) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   8.01 +/- 1.00   0.209% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  18.43 +/- 1.53   0.003% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.47 +/- 2.09   0.004% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.14 +/- 1.72   0.021% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.22 +/- 1.52   0.005% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  18.14 +/- 0.71   0.002% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.44 +/- 1.36   0.000% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  20.90 +/- 1.02   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 0.561, residual support = 0.56:
          HN    LEU   80 - HA    THR   77   4.76 +/- 1.33  98.571% * 87.3056% (0.38   0.56   0.56) =  99.917%  kept
          HN    CYS   53 - HA    THR   77  12.01 +/- 0.98   1.038% *  5.0275% (0.61   0.02   0.02) =   0.061%
          HN    THR   26 - HA    THR   77  13.66 +/- 0.85   0.345% *  5.3622% (0.65   0.02   0.02) =   0.022%
          HN    ALA   34 - HA    THR   77  19.06 +/- 0.93   0.046% *  2.3046% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 9 structures by 1.24 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 = 28.2:
      O   HN    ASP-  78 - HA    THR   77   3.53 +/- 0.05  99.268% * 99.8470% (0.65  10.0   4.61  28.16) =  99.999%  kept
          HN    VAL   75 - HA    THR   77   8.00 +/- 0.09   0.732% *  0.1530% (0.99   1.0   0.02   0.34) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.77 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.01  37.75) = 100.000%  kept
    Distance limit 3.48 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 = 2.68, residual support = 9.46:
        T QD    PHE   45 - QG2   THR   77   2.74 +/- 0.95 100.000% *100.0000% (0.80 10.00   2.68   9.46) = 100.000%  kept
    Distance limit 3.16 A violated in 2 structures by 0.23 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.6, residual support = 11.5:
          HN    THR   46 - QG2   THR   77   2.48 +/- 0.56  99.241% * 98.1631% (0.87   3.60  11.45) =  99.997%  kept
          HN    MET   92 - QG2   THR   77   6.65 +/- 0.90   0.696% *  0.4322% (0.69   0.02   0.02) =   0.003%
          HN    LYS+  74 - QG2   THR   77   9.80 +/- 0.33   0.057% *  0.6168% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   77  14.26 +/- 1.21   0.006% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.25 +/- 2.45   0.000% *  0.4569% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.17 +/- 0.35 100.000% *100.0000% (0.87   4.01  37.75) = 100.000%  kept
    Distance limit 3.06 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   3.46 +/- 0.59  99.786% * 98.6222% (0.61   1.50   8.19) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.16 +/- 0.95   0.214% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.95, residual support = 8.19:
          HA    ALA   20 - HB3   LYS+  74   3.16 +/- 0.63  99.893% * 99.2938% (0.76   2.95   8.19) =  99.999%  kept
          HA    LEU   71 - HB3   LYS+  74  10.53 +/- 0.79   0.107% *  0.7062% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.6:
      O   HA    LYS+  74 - HB3   LYS+  74   2.93 +/- 0.12  99.991% * 99.8966% (0.80  10.0   6.20 187.65) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  15.04 +/- 0.63   0.006% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  17.36 +/- 1.61   0.003% *  0.0278% (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 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.69 +/- 0.13  99.999% * 99.9221% (0.49  10.0 10.00   5.98 132.41) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  20.24 +/- 1.42   0.001% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2257 (1.71, 1.36, 34.10 ppm):
    8 chemical-shift based assignments, quality = 0.449, support = 1.67, residual support = 1.54:
          HB3   MET   92 - HB3   PRO   93   5.03 +/- 0.52  21.412% * 75.1138% (0.41  1.00   1.82   1.67) =  91.847%  kept
          QG1   ILE   56 - HB3   PRO   93   3.92 +/- 0.38  77.801% *  1.8019% (0.90  1.00   0.02   0.02) =   8.006%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  10.61 +/- 1.14   0.305% *  6.2015% (0.31 10.00   0.02   0.02) =   0.108%
          QD    LYS+ 106 - HB3   PRO   93  10.89 +/- 1.14   0.229% *  1.5355% (0.76  1.00   0.02   0.02) =   0.020%
          HB    ILE   89 - HB3   PRO   93  10.56 +/- 0.41   0.229% *  0.7541% (0.38  1.00   0.02   0.02) =   0.010%
        T HB2   LEU   73 - HB3   PRO   93  17.57 +/- 1.09   0.012% * 11.3754% (0.57 10.00   0.02   0.02) =   0.008%
          QD    LYS+  99 - HB3   PRO   93  19.15 +/- 0.66   0.006% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.64 +/- 0.78   0.005% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 2 structures by 0.39 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.952% * 99.4465% (0.80  10.0   6.00 132.41) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   7.88 +/- 1.49   0.021% *  0.0853% (0.69   1.0   0.02   0.71) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.42 +/- 1.07   0.016% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.26 +/- 1.15   0.006% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.04 +/- 1.11   0.004% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  11.67 +/- 1.16   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  20.83 +/- 0.98   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  27.26 +/- 1.91   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  25.22 +/- 0.67   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  35.81 +/- 3.36   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.35 +/- 0.13 100.000% *100.0000% (0.92  10.0   5.12 132.41) = 100.000%  kept
    Distance limit 3.51 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   7.67 +/- 0.71 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.03 A violated in 20 structures by 3.64 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.13, residual support = 15.0:
          QD1   ILE   19 - HG2   GLN   30   3.63 +/- 0.51  96.106% * 96.3080% (0.95   2.13  15.05) =  99.976%  kept
          QG1   VAL   41 - HG2   GLN   30   7.31 +/- 0.74   2.375% *  0.4643% (0.49   0.02   0.02) =   0.012%
          QG2   VAL   18 - HG2   GLN   30   8.64 +/- 0.92   0.638% *  0.8554% (0.90   0.02   0.02) =   0.006%
          QG1   VAL   43 - HG2   GLN   30   8.78 +/- 1.00   0.817% *  0.6552% (0.69   0.02   0.02) =   0.006%
          QG2   THR   46 - HG2   GLN   30  13.78 +/- 1.26   0.046% *  0.9205% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG2   GLN   30  16.43 +/- 1.29   0.017% *  0.7967% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.82:
        T QG2   THR   26 - HG2   GLN   30   3.23 +/- 0.52  99.700% * 87.3618% (0.61 10.00   0.75   4.82) =  99.998%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.50 +/- 0.81   0.045% *  2.1746% (0.57 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HG2   GLN   30   9.71 +/- 0.80   0.227% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  18.41 +/- 1.06   0.004% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  22.83 +/- 2.22   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  15.55 +/- 1.90   0.016% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.20 +/- 1.61   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  18.50 +/- 1.05   0.004% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  27.49 +/- 2.14   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 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   2.61 +/- 0.26  99.978% * 99.8036% (0.95  10.0 10.00   6.99 231.85) = 100.000%  kept
          QB    ALA   47 - HB3   LYS+ 112  12.97 +/- 1.49   0.018% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   LYS+ 112  14.49 +/- 1.02   0.004% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.26  99.995% * 99.8561% (0.73  10.0 10.00   6.24 231.85) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.85 +/- 1.57   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.41 +/- 1.91   0.002% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  29.69 +/- 2.63   0.000% *  0.0516% (0.38   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 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   2.85 +/- 0.66  99.984% * 99.7523% (0.97  10.0   5.68 231.85) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  14.40 +/- 1.96   0.011% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.51 +/- 1.40   0.004% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  24.22 +/- 1.54   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  41.82 +/- 4.09   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 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   2.59 +/- 0.59  99.942% * 99.6310% (0.84  10.0   5.72 231.85) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42  10.21 +/- 0.71   0.053% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  18.84 +/- 0.96   0.001% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  16.45 +/- 0.60   0.003% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.43 +/- 2.17   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  26.38 +/- 2.24   0.000% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  24.29 +/- 1.40   0.000% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  42.02 +/- 3.96   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.786, support = 0.02, residual support = 0.413:
          HA    PHE   72 - HB    VAL   42   6.57 +/- 0.98  67.575% * 47.7749% (0.85   0.02   0.46) =  90.177%  kept
          HA    MET   96 - HB    VAL   42   7.62 +/- 0.61  32.176% * 10.8512% (0.19   0.02   0.02) =   9.753%  kept
          HA    MET   96 - HB2   LYS+ 112  17.27 +/- 0.90   0.225% *  7.6580% (0.14   0.02   0.02) =   0.048%
          HA    PHE   72 - HB2   LYS+ 112  24.78 +/- 1.44   0.024% * 33.7159% (0.60   0.02   0.02) =   0.023%
    Distance limit 3.72 A violated in 18 structures by 2.34 A, eliminated.
    Peak unassigned.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.61, residual support = 89.4:
      O   HN    VAL   42 - HB    VAL   42   2.69 +/- 0.41  99.085% * 99.5896% (0.80  10.0   5.61  89.39) =  99.999%  kept
          HN    LEU   73 - HB    VAL   42   7.39 +/- 0.90   0.748% *  0.0996% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB    VAL   42  10.80 +/- 0.87   0.060% *  0.0698% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB    VAL   42   8.95 +/- 1.01   0.100% *  0.0300% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.40 +/- 0.70   0.006% *  0.0493% (0.40   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.55 +/- 0.98   0.001% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  24.29 +/- 1.49   0.000% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  25.35 +/- 1.60   0.000% *  0.0212% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.252, support = 0.901, residual support = 2.63:
          QD    PHE   55 - HB2   LYS+ 112   4.95 +/- 1.51  84.194% * 19.6976% (0.12   0.99   3.43) =  75.520%  kept
          QD    PHE   60 - HB    VAL   42   8.20 +/- 1.11   7.499% * 70.7801% (0.66   0.65   0.15) =  24.171%  kept
          HN    LYS+  66 - HB    VAL   42   8.77 +/- 0.72   5.633% *  0.7957% (0.24   0.02   0.02) =   0.204%
          HE3   TRP   27 - HB    VAL   42  10.39 +/- 0.64   2.081% *  0.7136% (0.22   0.02   0.02) =   0.068%
          QD    PHE   60 - HB2   LYS+ 112  13.27 +/- 1.75   0.351% *  1.5434% (0.47   0.02   0.02) =   0.025%
          HN    LYS+  81 - HB    VAL   42  18.68 +/- 0.79   0.054% *  2.8364% (0.86   0.02   0.02) =   0.007%
          QD    PHE   55 - HB    VAL   42  17.00 +/- 0.90   0.115% *  0.5663% (0.17   0.02   0.02) =   0.003%
          HN    LYS+  66 - HB2   LYS+ 112  17.91 +/- 1.38   0.060% *  0.5615% (0.17   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB2   LYS+ 112  26.07 +/- 1.71   0.006% *  2.0017% (0.61   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB2   LYS+ 112  26.31 +/- 1.28   0.007% *  0.5036% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 8 structures by 1.10 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.456, support = 0.59, residual support = 0.455:
        T QD    PHE   72 - HB    VAL   42   3.62 +/- 0.62  78.546% * 96.3871% (0.46 10.00   0.59   0.46) =  99.848%  kept
          HZ    PHE   72 - HB    VAL   42   4.79 +/- 0.88  20.269% *  0.5563% (0.78  1.00   0.02   0.46) =   0.149%
          QE    PHE   45 - HB    VAL   42   8.01 +/- 0.73   1.167% *  0.2116% (0.30  1.00   0.02   0.02) =   0.003%
        T QD    PHE   72 - HB2   LYS+ 112  19.20 +/- 1.05   0.005% *  2.3031% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.63 +/- 1.43   0.005% *  0.3926% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.28 +/- 1.21   0.008% *  0.1493% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 2 structures by 0.17 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    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   2.55 +/- 0.20  99.966% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101   9.73 +/- 0.96   0.034% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.88 +/- 0.15  99.935% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101   9.97 +/- 0.57   0.065% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.52 +/- 0.31  99.995% * 99.9814% (0.84  10.0   1.72   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.97 +/- 1.63   0.005% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.72 +/- 0.18  99.999% * 99.8617% (0.85  10.0   2.38  12.40) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  19.77 +/- 2.21   0.001% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  28.18 +/- 1.61   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  34.63 +/- 2.41   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.78 +/- 0.25  99.994% * 99.7294% (0.46  10.0   2.30  12.40) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.17 +/- 2.32   0.004% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.31 +/- 2.32   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.55 +/- 2.13   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.5, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.54 +/- 0.11  99.893% * 99.5700% (0.65  10.0   3.50  12.08) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.30 +/- 0.81   0.105% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  15.97 +/- 1.23   0.002% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.66 +/- 0.91   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  22.03 +/- 2.64   0.000% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  31.18 +/- 1.57   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.99 +/- 1.42   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  37.68 +/- 2.69   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 3.58, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   3.85 +/- 0.36  98.638% * 98.7294% (0.97   3.58  12.08) =  99.997%  kept
          HN    ALA   12 - HB3   GLU-  14   8.52 +/- 0.97   1.316% *  0.1958% (0.34   0.02   0.02) =   0.003%
          HN    ASN   35 - HB3   GLU-  14  15.46 +/- 1.97   0.039% *  0.1148% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  22.96 +/- 2.46   0.003% *  0.3235% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.78 +/- 1.23   0.003% *  0.0834% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  31.70 +/- 2.04   0.000% *  0.2349% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  29.45 +/- 1.44   0.001% *  0.0834% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  37.84 +/- 3.25   0.000% *  0.2349% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.65:
      O   HN    GLU-  14 - HA    SER   13   2.44 +/- 0.19  99.970% * 99.1146% (0.92  10.0   2.10   6.65) = 100.000%  kept
          HN    GLU-  14 - HA    SER   37  12.69 +/- 2.38   0.009% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.20 +/- 0.40   0.004% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.35 +/- 0.54   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.13 +/- 0.71   0.003% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  15.07 +/- 0.98   0.002% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.62 +/- 1.54   0.001% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.40 +/- 2.45   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.28 +/- 0.46   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.98 +/- 0.69   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.69 +/- 1.78   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  19.97 +/- 0.40   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.58 +/- 1.83   0.000% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.35 +/- 1.39   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  20.15 +/- 0.64   0.000% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.35 +/- 1.52   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  25.32 +/- 1.17   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.69 +/- 1.12   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.619, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  13.28 +/- 1.02  16.689% * 21.8157% (0.99   0.02   0.02) =  33.074%  kept
          HN    ILE   19 - HA    SER   37  13.91 +/- 1.03  12.517% * 11.6574% (0.53   0.02   0.02) =  13.255%  kept
          HN    ILE   19 - HA    THR   46  14.85 +/- 0.90   8.467% * 13.2032% (0.60   0.02   0.02) =  10.155%  kept
          HN    VAL   42 - HA    SER   37  13.08 +/- 0.31  16.740% *  6.6588% (0.30   0.02   0.02) =  10.126%  kept
          HN    LEU   73 - HA    THR   46  13.62 +/- 0.79  14.252% *  7.5418% (0.34   0.02   0.02) =   9.764%  kept
          HN    LEU   73 - HA    SER   37  13.72 +/- 0.99  13.441% *  6.6588% (0.30   0.02   0.02) =   8.130%  kept
          HN    VAL   42 - HA    THR   46  14.11 +/- 0.33  10.651% *  7.5418% (0.34   0.02   0.02) =   7.297%  kept
          HN    LEU   73 - HA    SER   13  16.29 +/- 1.13   4.747% * 12.4613% (0.57   0.02   0.02) =   5.374%  kept
          HN    VAL   42 - HA    SER   13  18.01 +/- 0.65   2.495% * 12.4613% (0.57   0.02   0.02) =   2.824%  kept
    Distance limit 3.34 A violated in 20 structures by 6.36 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.71, residual support = 27.5:
      O   HN    SER   37 - HB3   SER   37   2.58 +/- 0.20  99.985% * 99.5355% (0.83  10.0   3.71  27.54) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.25 +/- 2.18   0.010% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.47 +/- 0.84   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.82 +/- 1.38   0.002% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.92 +/- 1.33   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  24.19 +/- 0.98   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  25.12 +/- 1.09   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  29.11 +/- 1.26   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.674, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  22.23 +/- 1.89  47.905% * 22.8936% (0.69   0.02   0.02) =  58.920%  kept
          HA    TRP   87 - HB3   GLU-  14  28.45 +/- 1.55  11.337% * 33.2545% (1.00   0.02   0.02) =  20.254%  kept
          HA    LEU  104 - HB3   GLU-  14  25.95 +/- 1.31  19.492% * 12.5086% (0.38   0.02   0.02) =  13.099%  kept
          HA    PHE   59 - HG3   MET   11  30.38 +/- 3.56   9.075% *  8.1279% (0.24   0.02   0.02) =   3.963%  kept
          HA    TRP   87 - HG3   MET   11  37.38 +/- 2.57   2.219% * 11.8063% (0.35   0.02   0.02) =   1.407%  kept
          HA    ASP- 113 - HB3   GLU-  14  32.49 +/- 1.63   4.773% *  5.1424% (0.15   0.02   0.02) =   1.319%  kept
          HA    LEU  104 - HG3   MET   11  34.23 +/- 2.23   3.763% *  4.4409% (0.13   0.02   0.02) =   0.898%  kept
          HA    ASP- 113 - HG3   MET   11  40.49 +/- 3.66   1.437% *  1.8257% (0.05   0.02   0.02) =   0.141%
    Distance limit 3.53 A violated in 20 structures by 16.06 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.89, residual support = 47.3:
      O   HN    GLU-  14 - HB3   GLU-  14   3.30 +/- 0.21  99.802% * 99.5831% (0.92  10.0   3.89  47.32) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.87 +/- 0.72   0.172% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  14.70 +/- 1.78   0.018% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  19.34 +/- 2.02   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.35 +/- 1.47   0.002% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  22.75 +/- 2.89   0.001% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.82 +/- 2.41   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.30 +/- 1.33   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  29.63 +/- 2.19   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.96 +/- 2.83   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.88, residual support = 47.3:
      O   HN    GLU-  14 - HB2   GLU-  14   3.37 +/- 0.42  99.766% * 99.3938% (0.49  10.0   3.88  47.32) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.98 +/- 0.95   0.204% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  15.43 +/- 1.62   0.017% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.43 +/- 2.37   0.005% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.30 +/- 1.32   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  20.89 +/- 2.05   0.003% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  23.08 +/- 2.68   0.001% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.70 +/- 2.32   0.000% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  29.62 +/- 2.38   0.000% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  28.56 +/- 0.70   0.000% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  32.86 +/- 2.00   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  33.12 +/- 0.73   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 2.06, residual support = 6.01:
      O   HN    GLY   16 - HA    GLU-  15   2.53 +/- 0.16  99.964% * 99.5949% (0.97  10.0   2.06   6.01) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  10.36 +/- 1.45   0.028% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  13.04 +/- 1.44   0.007% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.11 +/- 1.35   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.57 +/- 1.24   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.35 +/- 0.99   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  25.60 +/- 1.03   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  22.81 +/- 1.48   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.62 +/- 1.35   0.000% *  0.0153% (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 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 94.4:
      O   HN    ASN   28 - HA    ASN   28   2.78 +/- 0.03  99.999% * 99.8927% (0.84  10.0   5.70  94.44) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.42 +/- 0.85   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 18.6:
        T HB2   LEU   31 - HA    ASN   28   3.23 +/- 0.38  98.971% * 93.5437% (0.38 10.00   2.56  18.55) =  99.997%  kept
        T QB    ALA   84 - HA    ASN   28  11.84 +/- 0.58   0.051% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.40 +/- 0.67   0.384% *  0.0935% (0.38  1.00   0.02   0.93) =   0.000%
          HB3   LEU   80 - HA    ASN   28   9.87 +/- 0.95   0.165% *  0.1311% (0.53  1.00   0.02   1.09) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.11 +/- 1.30   0.086% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   9.55 +/- 1.34   0.288% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  15.72 +/- 0.67   0.009% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.22 +/- 1.96   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  15.88 +/- 2.58   0.015% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  14.09 +/- 0.80   0.017% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.49 +/- 1.29   0.005% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  18.65 +/- 1.34   0.004% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  21.46 +/- 0.73   0.001% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  20.59 +/- 1.39   0.002% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  27.55 +/- 2.52   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.96 +/- 1.28   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.608, support = 3.78, residual support = 18.4:
          HG    LEU   31 - HA    ASN   28   2.94 +/- 1.12  95.572% * 84.6724% (0.61   3.81  18.55) =  99.244%  kept
          QD2   LEU   73 - HA    ASN   28   6.33 +/- 0.51   4.420% * 13.9461% (0.76   0.50   0.93) =   0.756%  kept
          QD1   ILE   56 - HA    ASN   28  20.04 +/- 1.22   0.004% *  0.7078% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  22.75 +/- 1.91   0.002% *  0.5605% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  24.07 +/- 1.38   0.001% *  0.1132% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.18 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   2.88 +/- 0.02  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.95 +/- 1.42   0.000% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  26.29 +/- 1.23   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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   3.46 +/- 0.04  88.267% * 99.5709% (0.65  10.0   3.26  16.51) =  99.991%  kept
          HD21  ASN   69 - HA2   GLY   16   7.53 +/- 2.30  11.719% *  0.0690% (0.45   1.0   0.02   0.02) =   0.009%
          HN    ALA   61 - HA2   GLY   16  16.57 +/- 1.50   0.008% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  24.01 +/- 2.42   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.50 +/- 0.85   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.60 +/- 1.64   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  28.00 +/- 1.49   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.23 +/- 0.05  89.892% * 99.5709% (0.65  10.0   3.26  16.51) =  99.992%  kept
          HD21  ASN   69 - HA1   GLY   16   6.70 +/- 1.82  10.095% *  0.0690% (0.45   1.0   0.02   0.02) =   0.008%
          HN    ALA   61 - HA1   GLY   16  16.00 +/- 1.38   0.008% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.45 +/- 2.50   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  17.44 +/- 1.11   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.15 +/- 1.74   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.76 +/- 1.44   0.000% *  0.0633% (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 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   2.28 +/- 0.02  99.999% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    ILE  103 - HA1   GLY   16  18.94 +/- 1.88   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  25.15 +/- 1.36   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  22.09 +/- 1.22   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  25.56 +/- 1.91   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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   2.44 +/- 0.08  96.899% * 99.0943% (0.58  10.0 10.00   4.31  84.31) =  99.997%  kept
          QB    LYS+  65 - QG    GLN   17   6.76 +/- 2.00   1.915% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.002%
          HB2   LEU   71 - QG    GLN   17   7.27 +/- 1.39   0.270% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB    VAL   70   6.25 +/- 0.36   0.383% *  0.0260% (0.15   1.0  1.00   0.02  31.09) =   0.000%
        T HB3   GLN   17 - HB    VAL   70   9.44 +/- 1.15   0.038% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   8.55 +/- 1.36   0.086% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.21 +/- 0.73   0.187% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.82 +/- 0.38   0.046% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   7.64 +/- 0.82   0.130% *  0.0066% (0.04   1.0  1.00   0.02   2.73) =   0.000%
          HB    VAL   41 - QG    GLN   17  11.83 +/- 1.09   0.009% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.27 +/- 1.39   0.004% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.17 +/- 1.09   0.022% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  17.79 +/- 1.26   0.001% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  12.14 +/- 0.98   0.007% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  20.34 +/- 1.71   0.000% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  16.13 +/- 1.25   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  17.37 +/- 1.19   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  17.97 +/- 0.99   0.001% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.489, support = 5.49, residual support = 83.6:
          HN    GLN   17 - QG    GLN   17   3.32 +/- 0.75  87.196% * 88.7309% (0.49   5.50  84.31) =  98.674%  kept
          HD21  ASN   69 - HB    VAL   70   5.71 +/- 1.06  10.837% *  9.5746% (0.07   4.18  27.56) =   1.323%  kept
          HD21  ASN   69 - QG    GLN   17   9.91 +/- 1.40   0.406% *  0.2235% (0.34   0.02   0.02) =   0.001%
          HN    GLN   17 - HB    VAL   70   7.97 +/- 0.88   1.151% *  0.0660% (0.10   0.02   0.02) =   0.001%
          HN    ALA   61 - QG    GLN   17  11.51 +/- 2.01   0.273% *  0.2426% (0.37   0.02   0.02) =   0.001%
          HN    ALA   61 - HB    VAL   70  11.72 +/- 1.01   0.078% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  13.90 +/- 1.39   0.025% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  20.10 +/- 1.50   0.004% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  17.17 +/- 2.17   0.010% *  0.0817% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  20.70 +/- 1.21   0.003% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.25 +/- 1.65   0.002% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  19.06 +/- 1.32   0.004% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.40 +/- 0.71   0.009% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  20.81 +/- 0.97   0.002% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.07 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   2.56 +/- 0.76  99.470% * 99.7451% (0.76   5.81  50.05) = 100.000%  kept
          HN    VAL   18 - HB    VAL   70   7.49 +/- 1.01   0.367% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    SER   13 - QG    GLN   17   9.83 +/- 1.43   0.150% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  15.18 +/- 1.53   0.007% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.36 +/- 0.85   0.003% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.61 +/- 1.49   0.002% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.3:
      O   HN    GLN   17 - HB3   GLN   17   2.93 +/- 0.37  99.891% * 99.5709% (0.65  10.0   5.17  84.31) = 100.000%  kept
          HD21  ASN   69 - HB3   GLN   17  10.76 +/- 1.76   0.092% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   GLN   17  14.20 +/- 1.64   0.012% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.33 +/- 0.76   0.004% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  23.58 +/- 1.95   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.36 +/- 1.25   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  26.29 +/- 1.46   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.70 +/- 0.37  99.514% * 99.8372% (1.00   5.47  50.05) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17   9.93 +/- 1.33   0.476% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.52 +/- 0.95   0.010% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.76 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   2.74 +/- 0.25  97.182% * 99.4149% (0.76  10.0 10.00   4.00  84.31) =  99.996%  kept
          HB2   LEU   71 - HA    GLN   17   6.61 +/- 1.78   1.989% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.003%
          QB    LYS+  65 - HA    GLN   17   7.31 +/- 1.30   0.638% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    GLN   17   8.42 +/- 0.75   0.163% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  11.91 +/- 1.47   0.021% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  18.52 +/- 1.66   0.001% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  16.21 +/- 1.67   0.003% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  21.97 +/- 1.25   0.000% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  18.02 +/- 1.42   0.001% *  0.0201% (0.15   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 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  99.455% * 94.0226% (0.18  10.0 10.00   4.00  84.31) =  99.998%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.11 +/- 0.43   0.061% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   GLN   17 - HB3   PRO   68   9.74 +/- 2.53   0.018% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   5.65 +/- 1.59   0.187% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   6.18 +/- 1.45   0.192% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.87 +/- 1.71   0.038% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   8.60 +/- 1.18   0.012% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  10.14 +/- 1.57   0.009% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17   8.08 +/- 1.52   0.018% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17   9.87 +/- 1.12   0.004% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  12.15 +/- 1.34   0.001% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  11.64 +/- 1.21   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  12.66 +/- 0.90   0.001% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.08 +/- 2.41   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.47 +/- 1.05   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  14.80 +/- 2.28   0.001% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  16.86 +/- 1.60   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  13.54 +/- 1.22   0.001% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.16 +/- 1.63   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.26 +/- 1.11   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  20.28 +/- 1.50   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  18.69 +/- 1.62   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  18.07 +/- 1.22   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  18.38 +/- 1.48   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  23.37 +/- 1.29   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  25.06 +/- 0.83   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  19.88 +/- 1.16   0.000% *  0.0190% (0.04   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 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.4:
      O   HA    PRO   68 - HB3   PRO   68   2.37 +/- 0.15  99.685% * 99.9155% (0.19  10.0   2.96  35.44) = 100.000%  kept
          HA    PRO   68 - HB2   GLN   17   8.18 +/- 2.18   0.247% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
          HA    PRO   68 - QB    GLU-  15   9.38 +/- 1.40   0.068% *  0.0447% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 50.0:
          HN    VAL   18 - HB2   GLN   17   2.96 +/- 0.61  97.853% * 97.9600% (0.24   5.47  50.05) =  99.994%  kept
          HN    VAL   18 - HB3   PRO   68   9.77 +/- 2.34   0.379% *  0.8982% (0.61   0.02   0.02) =   0.004%
          HN    VAL   18 - QB    GLU-  15   8.23 +/- 0.25   0.352% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    SER   13 - QB    GLU-  15   6.97 +/- 0.70   1.262% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    SER   13 - HB2   GLN   17  10.63 +/- 1.39   0.135% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  17.11 +/- 3.18   0.005% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  14.92 +/- 1.17   0.009% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.31 +/- 0.75   0.004% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  23.32 +/- 1.52   0.001% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 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   2.57 +/- 0.07  99.999% * 99.9233% (0.84  10.0   5.47  50.05) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.38 +/- 0.61   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  23.49 +/- 1.26   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 0.675, support = 0.02, residual support = 0.02:
        T QB    ALA   64 - HA    GLN   17   5.53 +/- 1.29  92.273% * 38.1619% (0.69 10.00   0.02   0.02) =  94.395%  kept
        T QG1   VAL   42 - HA    GLN   17   8.95 +/- 1.10   7.610% * 27.0421% (0.49 10.00   0.02   0.02) =   5.516%  kept
        T QB    ALA   47 - HA    GLN   17  18.23 +/- 1.21   0.098% * 33.6965% (0.61 10.00   0.02   0.02) =   0.089%
          HG2   LYS+ 112 - HA    GLN   17  24.21 +/- 2.34   0.020% *  1.0994% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 3.04 A violated in 16 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 76.8:
      O   HN    VAL   18 - HB    VAL   18   2.48 +/- 0.48  99.994% * 99.9233% (0.84  10.0   4.99  76.78) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.45 +/- 0.91   0.005% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  19.76 +/- 1.30   0.001% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.542, support = 0.75, residual support = 3.13:
        T HB2   PHE   72 - HA    VAL   18   4.98 +/- 0.74  61.612% * 82.4014% (0.49 10.00   0.75   2.61) =  88.870%  kept
          HA    ALA   64 - HA    VAL   18   5.58 +/- 0.54  38.313% * 16.5936% (0.98  1.00   0.75   7.28) =  11.129%  kept
        T HB3   ASN   35 - HA    VAL   18  15.56 +/- 0.83   0.075% *  1.0051% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 3.72 A violated in 11 structures by 0.85 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.86, residual support = 23.2:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.04  98.872% * 99.7159% (0.73  10.0   4.86  23.20) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   4.91 +/- 0.35   0.954% *  0.1268% (0.92   1.0   0.02   0.35) =   0.001%
          HN    VAL   42 - HA    VAL   18   6.70 +/- 0.76   0.173% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  18.16 +/- 0.78   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 0.862, support = 0.431, residual support = 0.12:
          HG    LEU   67 - QG1   VAL   18   5.37 +/- 2.05  26.461% * 46.3491% (1.00   0.40   0.02) =  67.595%  kept
          HG    LEU   73 - QG1   VAL   18   5.67 +/- 0.79  15.235% * 36.2453% (0.61   0.52   0.35) =  30.434%  kept
          HB3   LEU   67 - QG1   VAL   18   4.93 +/- 1.79  39.898% *  0.5744% (0.25   0.02   0.02) =   1.263%  kept
          QB    ALA   61 - QG1   VAL   18   5.84 +/- 1.07  16.330% *  0.3554% (0.15   0.02   0.02) =   0.320%
          QG    LYS+  66 - QG1   VAL   18   8.12 +/- 0.93   0.838% *  6.0390% (0.41   0.13   0.02) =   0.279%
          HG    LEU   40 - QG1   VAL   18   9.19 +/- 1.14   0.461% *  2.2832% (0.99   0.02   0.02) =   0.058%
          HB3   LEU   40 - QG1   VAL   18   8.73 +/- 1.34   0.629% *  1.0328% (0.45   0.02   0.02) =   0.036%
          HB3   LEU  115 - QG1   VAL   18  13.26 +/- 1.32   0.050% *  2.2832% (0.99   0.02   0.02) =   0.006%
          QB    ALA  120 - QG1   VAL   18  12.85 +/- 1.16   0.048% *  1.5824% (0.69   0.02   0.02) =   0.004%
          HG    LEU  115 - QG1   VAL   18  14.01 +/- 1.54   0.036% *  1.5824% (0.69   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - QG1   VAL   18  16.35 +/- 1.24   0.013% *  1.6728% (0.73   0.02   0.02) =   0.001%
    Distance limit 2.88 A violated in 7 structures by 0.94 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.22:
        T QB    ALA   34 - QG1   VAL   41   1.78 +/- 0.20  99.922% * 97.8928% (0.49 10.00   2.96   9.22) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18   9.03 +/- 0.54   0.008% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.52 +/- 0.74   0.042% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.81 +/- 0.70   0.005% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.84 +/- 0.82   0.002% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  14.73 +/- 1.36   0.000% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18  11.18 +/- 1.11   0.004% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.28 +/- 0.76   0.001% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  12.85 +/- 0.47   0.001% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.87 +/- 1.07   0.008% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  14.32 +/- 0.88   0.001% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  16.03 +/- 0.91   0.000% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.78 +/- 1.34   0.003% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  16.30 +/- 1.00   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.85 +/- 1.25   0.000% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  14.37 +/- 1.59   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.62 +/- 1.40   0.000% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  19.41 +/- 1.00   0.000% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.97, residual support = 74.0:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.02  93.179% * 97.9411% (0.84  10.0 10.00   3.97  74.04) =  99.997%  kept
          HB2   LEU   71 - QG1   VAL   41   4.73 +/- 0.84   1.584% *  0.0805% (0.69   1.0  1.00   0.02   0.97) =   0.001%
          QB    LYS+  65 - QG2   VAL   18   5.29 +/- 0.96   0.689% *  0.0651% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU  104   4.00 +/- 0.68   3.417% *  0.0053% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   18   5.31 +/- 0.77   0.585% *  0.0177% (0.15   1.0  1.00   0.02  50.05) =   0.000%
        T HB    VAL   41 - QG2   VAL   18   9.83 +/- 0.92   0.012% *  0.7485% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.37 +/- 0.81   0.068% *  0.0865% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   7.76 +/- 0.87   0.053% *  0.0805% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   8.18 +/- 0.80   0.035% *  0.0979% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   7.90 +/- 0.67   0.040% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.46 +/- 1.31   0.043% *  0.0526% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   6.12 +/- 0.91   0.266% *  0.0043% (0.04   1.0  1.00   0.02  36.79) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.61 +/- 0.56   0.004% *  0.1132% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  12.17 +/- 0.72   0.003% *  0.0851% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  10.56 +/- 1.41   0.008% *  0.0232% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.16 +/- 0.86   0.001% *  0.0616% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  14.57 +/- 1.86   0.002% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  15.38 +/- 0.91   0.001% *  0.0878% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  15.71 +/- 0.83   0.001% *  0.0748% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.52 +/- 0.53   0.000% *  0.1149% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.58 +/- 1.73   0.001% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.87 +/- 1.55   0.003% *  0.0061% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.97 +/- 1.04   0.004% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  17.78 +/- 1.43   0.000% *  0.0368% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  21.70 +/- 1.13   0.000% *  0.0482% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.97 +/- 1.86   0.002% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.34 +/- 1.16   0.001% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  16.32 +/- 0.71   0.000% *  0.0062% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.25 +/- 1.48   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.70 +/- 0.89   0.000% *  0.0026% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.624, support = 2.03, residual support = 10.1:
          HB3   LEU   40 - QG1   VAL   41   5.03 +/- 0.26   5.091% * 83.5456% (0.46   3.79  19.69) =  50.766%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.41 +/- 1.64  42.327% *  8.5998% (0.76   0.24   0.02) =  43.450%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.00 +/- 1.36  50.607% *  0.9433% (0.99   0.02   1.47) =   5.698%  kept
          QG2   THR   26 - QG2   VAL   18   7.83 +/- 0.84   0.376% *  0.7949% (0.84   0.02   0.02) =   0.036%
          QG2   THR   26 - QG1   VAL   41   8.53 +/- 0.58   0.217% *  0.6075% (0.64   0.02   0.02) =   0.016%
          QD    LYS+  66 - QG2   VAL   18   8.44 +/- 1.00   0.282% *  0.2937% (0.31   0.02   0.02) =   0.010%
          HB3   LEU   40 - QD2   LEU  104   7.58 +/- 0.99   0.542% *  0.0887% (0.09   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  10.19 +/- 1.01   0.082% *  0.5772% (0.61   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QG1   VAL   41  10.90 +/- 0.76   0.044% *  0.7209% (0.76   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - QD2   LEU  104   9.03 +/- 1.55   0.232% *  0.1005% (0.11   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QG1   VAL   41  13.45 +/- 1.84   0.023% *  0.4996% (0.52   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  14.39 +/- 1.70   0.014% *  0.6537% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  12.91 +/- 1.06   0.016% *  0.5558% (0.58   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.40 +/- 1.21   0.013% *  0.3572% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.66 +/- 1.25   0.068% *  0.0549% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - QG2   VAL   18  14.50 +/- 1.70   0.010% *  0.3572% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.13 +/- 0.56   0.014% *  0.2245% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QG1   VAL   41  14.14 +/- 1.00   0.010% *  0.2730% (0.29   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  17.52 +/- 0.95   0.003% *  0.2730% (0.29   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.49 +/- 1.82   0.014% *  0.0451% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.84 +/- 0.95   0.005% *  0.1222% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.25 +/- 1.40   0.003% *  0.1118% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  17.67 +/- 1.06   0.002% *  0.1449% (0.15   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.47 +/- 1.24   0.006% *  0.0549% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.861, support = 0.0198, residual support = 0.0198:
        T HA    ALA   61 - QG2   VAL   18   4.95 +/- 1.26  86.568% * 46.5616% (0.87 10.00   0.02   0.02) =  98.329%  kept
          HD2   PRO   68 - QG2   VAL   18   8.76 +/- 0.93   6.310% *  5.2615% (0.98  1.00   0.02   0.02) =   0.810%  kept
        T HA    ALA   61 - QG1   VAL   41  12.44 +/- 1.00   0.503% * 35.5837% (0.66 10.00   0.02   0.02) =   0.436%
          HD2   PRO   68 - QG1   VAL   41   9.91 +/- 1.15   2.773% *  4.0210% (0.75  1.00   0.02   0.02) =   0.272%
          HA    VAL   24 - QG2   VAL   18  11.71 +/- 0.91   1.034% *  2.6128% (0.49  1.00   0.02   0.02) =   0.066%
          HA    VAL   24 - QG1   VAL   41  11.38 +/- 0.58   1.034% *  1.9968% (0.37  1.00   0.02   0.02) =   0.050%
          HD2   PRO   68 - QD2   LEU  104  11.45 +/- 2.07   1.051% *  0.8085% (0.15  1.00   0.02   0.02) =   0.021%
          HD3   PRO   58 - QG2   VAL   18  12.23 +/- 1.11   0.449% *  1.0623% (0.20  1.00   0.02   0.02) =   0.012%
          HA    ALA   61 - QD2   LEU  104  16.26 +/- 1.22   0.103% *  0.7155% (0.13  1.00   0.02   0.02) =   0.002%
          HD3   PRO   58 - QG1   VAL   41  18.04 +/- 0.69   0.061% *  0.8118% (0.15  1.00   0.02   0.02) =   0.001%
          HA    VAL   24 - QD2   LEU  104  18.50 +/- 1.41   0.063% *  0.4015% (0.07  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QD2   LEU  104  18.71 +/- 1.40   0.051% *  0.1632% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 17 structures by 2.08 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.2, residual support = 74.0:
      O T HA    VAL   41 - QG1   VAL   41   2.44 +/- 0.29  99.636% * 98.8372% (0.65  10.0 10.00   4.20  74.04) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18   8.05 +/- 0.76   0.130% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.001%
          HA    PHE   45 - QG2   VAL   18   8.88 +/- 0.77   0.057% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   9.07 +/- 0.97   0.050% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.05 +/- 0.31   0.009% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.86 +/- 1.28   0.014% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  12.44 +/- 1.13   0.009% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   9.21 +/- 2.21   0.093% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.62 +/- 0.99   0.002% *  0.0082% (0.05   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 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 0.0199, residual support = 0.0199:
          QD    PHE   60 - QG1   VAL   18   6.03 +/- 1.33  48.650% * 36.4324% (1.00   0.02   0.02) =  58.922%  kept
          HN    LYS+  66 - QG1   VAL   18   6.33 +/- 1.17  47.905% * 25.0257% (0.69   0.02   0.02) =  39.854%  kept
          QE    PHE   59 - QG1   VAL   18   9.68 +/- 1.23   3.048% *  8.1111% (0.22   0.02   0.02) =   0.822%  kept
          HN    LYS+  81 - QG1   VAL   18  13.77 +/- 1.21   0.398% * 30.4309% (0.84   0.02   0.02) =   0.402%
    Distance limit 3.04 A violated in 18 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 76.8:
          HN    VAL   18 - QG1   VAL   18   3.34 +/- 0.37  99.967% * 99.8233% (0.92   5.49  76.78) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.39 +/- 0.93   0.033% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.309, support = 1.47, residual support = 1.47:
          HN    LYS+  74 - QG1   VAL   18   4.02 +/- 1.10  98.958% * 92.2878% (0.31   1.47   1.47) =  99.967%  kept
          HN    THR   46 - QG1   VAL   18   9.29 +/- 1.22   0.973% *  2.9459% (0.73   0.02   0.02) =   0.031%
          HN    MET   92 - QG1   VAL   18  16.40 +/- 1.01   0.043% *  3.6383% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  18.42 +/- 0.97   0.027% *  1.1280% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 9 structures by 0.77 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.828, support = 4.82, residual support = 22.9:
          HN    ILE   19 - QG1   VAL   18   3.08 +/- 0.45  79.323% * 93.7257% (0.84   4.86  23.20) =  98.838%  kept
          HN    LEU   73 - QG1   VAL   18   4.24 +/- 0.63  14.038% *  6.1830% (0.20   1.35   0.35) =   1.154%  kept
          HN    VAL   42 - QG1   VAL   18   5.39 +/- 0.90   6.639% *  0.0913% (0.20   0.02   0.02) =   0.008%
    Distance limit 3.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.879, support = 0.0198, residual support = 0.0198:
          HN    LYS+  66 - QG2   VAL   18   6.23 +/- 0.92  44.963% * 16.9341% (0.98   0.02   0.02) =  52.665%  kept
          QD    PHE   60 - QG2   VAL   18   6.29 +/- 1.29  44.114% * 13.8337% (0.80   0.02   0.02) =  42.211%  kept
          QE    PHE   59 - QG2   VAL   18  10.21 +/- 1.07   2.399% *  9.7810% (0.57   0.02   0.02) =   1.623%  kept
          QD    PHE   60 - QG1   VAL   41  11.19 +/- 0.76   1.425% * 10.5721% (0.61   0.02   0.02) =   1.042%  kept
          HN    LYS+  66 - QG1   VAL   41  12.11 +/- 0.64   0.959% * 12.9415% (0.75   0.02   0.02) =   0.858%  kept
          QE    PHE   59 - QG1   VAL   41  12.55 +/- 1.33   1.105% *  7.4749% (0.43   0.02   0.02) =   0.571%  kept
          HN    PHE   59 - QG2   VAL   18  10.92 +/- 1.19   1.315% *  3.8463% (0.22   0.02   0.02) =   0.350%
          HN    LYS+  81 - QG2   VAL   18  14.22 +/- 0.91   0.449% *  7.7455% (0.45   0.02   0.02) =   0.240%
          QE    PHE   59 - QD2   LEU  104  11.51 +/- 1.75   2.019% *  1.5030% (0.09   0.02   0.02) =   0.210%
          QD    PHE   60 - QD2   LEU  104  13.98 +/- 1.32   0.506% *  2.1257% (0.12   0.02   0.02) =   0.074%
          HN    LYS+  81 - QG1   VAL   41  16.18 +/- 0.77   0.163% *  5.9193% (0.34   0.02   0.02) =   0.067%
          HN    LYS+  66 - QD2   LEU  104  14.83 +/- 1.42   0.282% *  2.6021% (0.15   0.02   0.02) =   0.051%
          HN    PHE   59 - QG1   VAL   41  16.47 +/- 0.72   0.146% *  2.9394% (0.17   0.02   0.02) =   0.030%
          HN    PHE   59 - QD2   LEU  104  17.14 +/- 1.36   0.125% *  0.5910% (0.03   0.02   0.02) =   0.005%
          HN    LYS+  81 - QD2   LEU  104  21.37 +/- 1.18   0.031% *  1.1902% (0.07   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 19 structures by 2.22 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.29, residual support = 76.8:
          HN    VAL   18 - QG2   VAL   18   2.56 +/- 0.70  99.225% * 98.1535% (0.61   5.29  76.78) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.51 +/- 0.60   0.453% *  0.1165% (0.19   0.02   0.02) =   0.001%
          HN    VAL   18 - QG1   VAL   41   9.40 +/- 1.16   0.116% *  0.2834% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.59 +/- 0.58   0.095% *  0.3393% (0.55   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  12.80 +/- 0.91   0.022% *  0.4440% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  10.93 +/- 0.92   0.063% *  0.1525% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  14.42 +/- 1.09   0.007% *  0.1442% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.29 +/- 0.84   0.004% *  0.1887% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  15.86 +/- 1.41   0.004% *  0.0570% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.86 +/- 1.52   0.002% *  0.0682% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  16.21 +/- 1.44   0.005% *  0.0234% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  17.49 +/- 1.55   0.002% *  0.0290% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.51, residual support = 74.0:
          HN    VAL   41 - QG1   VAL   41   2.72 +/- 0.41  98.624% * 98.4818% (0.14   4.51  74.04) =  99.999%  kept
          HN    VAL   41 - QD2   LEU  104   6.88 +/- 0.98   1.081% *  0.0235% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  10.37 +/- 0.76   0.045% *  0.3338% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.78 +/- 0.29   0.234% *  0.0343% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  12.62 +/- 0.72   0.011% *  0.6386% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  15.43 +/- 0.79   0.004% *  0.4880% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.0:
          HN    VAL   83 - QG1   VAL   83   2.61 +/- 0.48  99.905% * 98.5351% (0.36   5.34  87.04) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   9.44 +/- 1.13   0.082% *  0.1777% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.53 +/- 1.20   0.006% *  0.7789% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  14.04 +/- 1.25   0.008% *  0.5084% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.477, residual support = 0.653:
        T QG2   VAL   24 - QG1   VAL   83   2.66 +/- 0.97  65.217% * 63.7927% (0.46 10.00   0.31   0.65) =  82.116%  kept
          QG1   VAL   24 - QG1   VAL   83   3.28 +/- 1.24  34.733% * 26.0786% (0.46  1.00   1.26   0.65) =  17.878%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.32 +/- 1.20   0.036% *  6.8434% (0.75 10.00   0.02   0.02) =   0.005%
        T HG    LEU   63 - QG1   VAL   83  15.07 +/- 1.79   0.013% *  2.9609% (0.33 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - QG1   VAL   83  22.71 +/- 1.98   0.001% *  0.3243% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 1 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.431, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.33 +/- 0.51  10.417% * 27.9530% (0.14 10.00   0.02   0.02) =  34.353%  kept
          QG    GLU-  79 - HA    ILE   19  11.75 +/- 1.21  71.317% *  3.1869% (0.15  1.00   0.02   0.02) =  26.814%  kept
          HB3   PHE   97 - HA    ILE   19  17.30 +/- 1.06   7.768% * 19.0666% (0.92  1.00   0.02   0.02) =  17.474%  kept
          HB2   PRO   58 - HA    ILE   19  18.35 +/- 1.66   6.215% * 19.0666% (0.92  1.00   0.02   0.02) =  13.980%  kept
          HB2   GLU- 100 - HA    ILE   19  19.58 +/- 1.17   3.522% * 14.1878% (0.69  1.00   0.02   0.02) =   5.895%  kept
          HB2   GLN  116 - HA    ILE   19  25.39 +/- 1.20   0.760% * 16.5389% (0.80  1.00   0.02   0.02) =   1.483%  kept
    Distance limit 3.74 A violated in 20 structures by 7.31 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.04, residual support = 25.4:
      O   HN    ALA   20 - HA    ILE   19   2.33 +/- 0.06  99.998% * 99.9363% (0.73  10.0   5.04  25.43) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  14.45 +/- 0.58   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  24.85 +/- 1.23   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 6.62, residual support = 171.6:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.03  99.023% * 99.8764% (0.98  10.0   6.62 171.55) =  99.999%  kept
          HN    LEU   73 - HA    ILE   19   6.35 +/- 0.30   0.920% *  0.0618% (0.61   1.0   0.02   4.43) =   0.001%
          HN    VAL   42 - HA    ILE   19  10.22 +/- 0.68   0.057% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.43:
          HA    LEU   73 - HB    ILE   19   2.51 +/- 0.51 100.000% *100.0000% (0.95   2.00   4.43) = 100.000%  kept
    Distance limit 3.79 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 = 0.644, support = 5.82, residual support = 170.7:
      O   HN    ILE   19 - HB    ILE   19   2.38 +/- 0.20  94.233% * 92.4285% (0.65  10.0   5.84 171.55) =  99.519%  kept
          HN    LEU   73 - HB    ILE   19   4.05 +/- 0.52   5.697% *  7.3938% (0.97   1.0   1.07   4.43) =   0.481%
          HN    VAL   42 - HB    ILE   19   8.53 +/- 0.77   0.070% *  0.1379% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  20.27 +/- 0.80   0.000% *  0.0397% (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 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 171.5:
      O   HG13  ILE   19 - QG2   ILE   19   2.96 +/- 0.16  97.933% * 98.1968% (0.28  10.0   4.89 171.55) =  99.995%  kept
          QB    ALA   34 - QG2   ILE   19   7.11 +/- 0.49   0.615% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   ILE   19   7.67 +/- 0.52   0.402% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          QG2   THR   39 - QG2   ILE   19   8.22 +/- 0.82   0.374% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.38 +/- 0.93   0.653% *  0.0478% (0.14   1.0   0.02   8.51) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.48 +/- 0.86   0.008% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  15.40 +/- 1.34   0.006% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  17.32 +/- 0.50   0.003% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  15.83 +/- 0.86   0.005% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.945, support = 5.44, residual support = 171.4:
      O   HG12  ILE   19 - QG2   ILE   19   2.84 +/- 0.36  85.960% * 98.6225% (0.95  10.0  1.00   5.44 171.55) =  99.922%  kept
          HG    LEU   73 - QG2   ILE   19   4.34 +/- 0.90  12.249% *  0.5341% (0.53   1.0  1.00   0.19   4.43) =   0.077%
          HB3   LYS+  74 - QG2   ILE   19   5.86 +/- 0.69   1.522% *  0.0391% (0.38   1.0  1.00   0.02   8.51) =   0.001%
          HG    LEU   80 - QG2   ILE   19   9.47 +/- 0.85   0.077% *  0.1033% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.00 +/- 1.05   0.064% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  11.43 +/- 0.85   0.026% *  0.1826% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.39 +/- 1.01   0.050% *  0.0935% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  10.49 +/- 0.66   0.038% *  0.0590% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.34 +/- 0.51   0.010% *  0.0757% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  18.45 +/- 0.83   0.001% *  0.1022% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.86 +/- 1.25   0.002% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  19.20 +/- 2.13   0.001% *  0.0429% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.797, support = 4.88, residual support = 170.6:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  82.987% * 96.2824% (0.80  10.0   4.89 171.55) =  99.367%  kept
          HG3   GLN   30 - QG2   ILE   19   3.25 +/- 0.92  16.887% *  3.0116% (0.22   1.0   2.25  15.05) =   0.632%  kept
          HB2   GLN   17 - QG2   ILE   19   7.20 +/- 0.54   0.065% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.71 +/- 0.86   0.048% *  0.1110% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.78 +/- 0.65   0.009% *  0.1200% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.88 +/- 1.81   0.002% *  0.0681% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  14.22 +/- 1.28   0.001% *  0.0873% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  18.92 +/- 0.72   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  23.60 +/- 1.04   0.000% *  0.1043% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 15.1:
          HG2   GLN   30 - QG2   ILE   19   3.11 +/- 0.52  99.865% * 96.5710% (0.65   2.13  15.05) =  99.999%  kept
          HB3   ASN   28 - QG2   ILE   19  10.06 +/- 0.63   0.103% *  0.5751% (0.41   0.02   0.02) =   0.001%
          HB3   HIS  122 - QG2   ILE   19  15.98 +/- 0.76   0.008% *  1.2133% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  17.08 +/- 1.98   0.006% *  1.3957% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.99 +/- 0.57   0.018% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 171.6:
      O   HA    ILE   19 - QG2   ILE   19   2.53 +/- 0.21  99.955% * 99.7522% (0.92  10.0   5.74 171.55) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.72 +/- 0.59   0.042% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  15.71 +/- 0.89   0.002% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  18.48 +/- 1.16   0.001% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.23 +/- 0.32  99.995% * 97.9086% (0.31   3.68  25.43) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  12.47 +/- 0.62   0.005% *  1.2521% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  21.33 +/- 1.06   0.000% *  0.8393% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 5.75, residual support = 171.4:
          HN    ILE   19 - QG2   ILE   19   3.62 +/- 0.20  85.588% * 98.8270% (0.65   5.75 171.55) =  99.913%  kept
          HN    LEU   73 - QG2   ILE   19   4.96 +/- 0.41  13.934% *  0.5126% (0.97   0.02   4.43) =   0.084%
          HN    VAL   42 - QG2   ILE   19   8.91 +/- 0.67   0.473% *  0.5126% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   ILE   19  18.58 +/- 0.71   0.005% *  0.1477% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.474, support = 0.0199, residual support = 0.209:
          QD2   LEU   67 - HG13  ILE   19   9.01 +/- 1.91  17.338% * 39.2581% (0.69   0.02   0.02) =  59.184%  kept
          QD2   LEU   67 - HG    LEU   71   7.64 +/- 1.58  38.752% *  5.6275% (0.10   0.02   0.02) =  18.962%  kept
          QD1   LEU   40 - HG    LEU   71   7.83 +/- 1.17  36.329% *  3.3680% (0.06   0.02   1.80) =  10.639%  kept
          QD1   LEU   40 - HG13  ILE   19  11.16 +/- 1.48   4.802% * 23.4959% (0.41   0.02   0.02) =   9.811%  kept
          QG2   ILE  119 - HG13  ILE   19  16.11 +/- 1.34   0.531% * 15.8904% (0.28   0.02   0.02) =   0.734%  kept
          QD1   ILE  103 - HG13  ILE   19  15.75 +/- 1.22   0.553% *  8.8183% (0.15   0.02   0.02) =   0.424%
          QG2   ILE  119 - HG    LEU   71  15.28 +/- 1.52   0.664% *  2.2778% (0.04   0.02   0.02) =   0.132%
          QD1   ILE  103 - HG    LEU   71  14.23 +/- 1.33   1.030% *  1.2641% (0.02   0.02   0.02) =   0.113%
    Distance limit 2.98 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.84, residual support = 171.5:
          HN    ILE   19 - HG13  ILE   19   3.01 +/- 0.53  95.634% * 98.6343% (0.65   5.84 171.55) =  99.989%  kept
          HN    LEU   73 - HG13  ILE   19   6.03 +/- 0.82   1.705% *  0.5036% (0.97   0.02   4.43) =   0.009%
          HN    VAL   42 - HG13  ILE   19   9.34 +/- 1.22   0.123% *  0.5036% (0.97   0.02   0.02) =   0.001%
          HN    ILE   19 - HG    LEU   71   6.91 +/- 0.66   1.180% *  0.0484% (0.09   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   71   7.73 +/- 0.90   0.751% *  0.0722% (0.14   0.02   2.24) =   0.001%
          HN    LEU   73 - HG    LEU   71   7.87 +/- 0.86   0.604% *  0.0722% (0.14   0.02   0.36) =   0.000%
          HN    LYS+ 106 - HG13  ILE   19  21.44 +/- 1.07   0.001% *  0.1451% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  19.55 +/- 1.04   0.002% *  0.0208% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.26, residual support = 15.1:
          HE22  GLN   30 - QG2   ILE   19   3.96 +/- 0.41  99.585% * 97.4890% (0.41   2.26  15.05) =  99.997%  kept
          HD22  ASN   69 - QG2   ILE   19  13.57 +/- 1.42   0.080% *  2.0954% (1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - QG2   ILE   19  10.69 +/- 1.09   0.335% *  0.4156% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.09, residual support = 15.1:
          HE21  GLN   30 - QG2   ILE   19   3.88 +/- 0.44  99.259% * 97.5163% (1.00   2.09  15.05) =  99.994%  kept
          HD1   TRP   27 - QG2   ILE   19   9.19 +/- 0.74   0.698% *  0.8106% (0.87   0.02   0.02) =   0.006%
          QD    PHE   59 - QG2   ILE   19  14.69 +/- 0.66   0.041% *  0.8106% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  22.73 +/- 1.55   0.003% *  0.8626% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.13, residual support = 15.1:
          HE22  GLN   30 - QD1   ILE   19   4.10 +/- 0.85  99.888% * 93.7008% (0.25   2.13  15.05) =  99.998%  kept
          HN    VAL   83 - QD1   ILE   19  14.71 +/- 0.67   0.082% *  1.2012% (0.34   0.02   0.02) =   0.001%
          HN    CYS   50 - QD1   ILE   19  20.04 +/- 1.02   0.016% *  2.8199% (0.80   0.02   0.02) =   0.000%
          HN    TRP   49 - QD1   ILE   19  20.54 +/- 1.04   0.013% *  2.2781% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 4 structures by 0.34 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  18.64 +/- 0.82 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 14.73 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 25.4:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.05  99.819% * 98.7237% (0.92   3.84  25.43) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.63 +/- 0.41   0.140% *  0.5565% (1.00   0.02   0.02) =   0.001%
          HA    SER   82 - QB    ALA   20  15.74 +/- 0.82   0.024% *  0.3375% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - QB    ALA   20  16.70 +/- 1.25   0.017% *  0.3823% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.881, support = 0.0199, residual support = 7.84:
          QE    LYS+  74 - QB    ALA   20   5.25 +/- 1.15  92.805% * 25.4326% (0.90   0.02   8.19) =  95.772%  kept
          HB2   PHE   72 - QB    ALA   20   9.62 +/- 0.81   4.661% * 16.0552% (0.57   0.02   0.02) =   3.037%  kept
          QB    CYS   50 - QB    ALA   20  13.47 +/- 1.48   0.535% * 26.1780% (0.92   0.02   0.02) =   0.568%  kept
          HB3   ASP-  78 - QB    ALA   20  11.50 +/- 0.91   1.756% *  4.9664% (0.18   0.02   0.02) =   0.354%
          HB3   ASN   69 - QB    ALA   20  15.47 +/- 1.05   0.243% * 27.3678% (0.97   0.02   0.02) =   0.270%
    Distance limit 3.58 A violated in 14 structures by 1.62 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.921, support = 2.06, residual support = 5.11:
          HD2   HIS   22 - QB    ALA   20   2.98 +/- 0.65  98.186% * 70.6503% (0.92   2.06   5.15) =  99.342%  kept
          HN    THR   23 - QB    ALA   20   6.26 +/- 0.32   1.693% * 27.0823% (0.53   1.39   0.02) =   0.657%  kept
          HN    LEU   67 - QB    ALA   20  11.88 +/- 0.97   0.058% *  0.6656% (0.90   0.02   0.02) =   0.001%
          QE    PHE   95 - QB    ALA   20  12.73 +/- 1.33   0.042% *  0.3612% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  16.77 +/- 1.73   0.008% *  0.7356% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  16.59 +/- 0.94   0.007% *  0.3905% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  18.68 +/- 1.06   0.004% *  0.1145% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 13.9:
          HN    CYS   21 - QB    ALA   20   3.54 +/- 0.04  99.908% * 99.0740% (0.95   3.66  13.95) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.16 +/- 0.45   0.062% *  0.3475% (0.61   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.07 +/- 0.73   0.018% *  0.1003% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.85 +/- 0.91   0.005% *  0.3014% (0.53   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  17.22 +/- 0.70   0.008% *  0.1768% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 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   2.15 +/- 0.10  99.997% * 99.6086% (0.31  10.0   3.73  15.23) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  12.28 +/- 0.44   0.003% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  20.74 +/- 1.26   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.446, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB2   CYS   21   9.12 +/- 1.07  62.054% *  4.7734% (0.34   0.02   0.02) =  53.322%  kept
          HB    VAL   41 - HB2   CYS   21  11.41 +/- 0.83  17.078% *  9.0526% (0.65   0.02   0.02) =  27.831%  kept
          QB    LYS+  81 - HB2   CYS   21  12.80 +/- 1.00  10.086% *  3.1155% (0.22   0.02   0.02) =   5.657%  kept
          HG12  ILE  103 - HB2   CYS   21  16.34 +/- 1.13   2.073% * 11.2053% (0.80   0.02   0.02) =   4.181%  kept
          QB    LYS+  66 - HB2   CYS   21  15.90 +/- 0.74   2.331% *  6.2738% (0.45   0.02   0.02) =   2.632%  kept
          HB    ILE  103 - HB2   CYS   21  18.87 +/- 1.21   0.858% *  7.3624% (0.53   0.02   0.02) =   1.137%  kept
          HG3   PRO   68 - HB2   CYS   21  19.10 +/- 0.83   0.728% *  7.9226% (0.57   0.02   0.02) =   1.039%  kept
          QB    LYS+ 106 - HB2   CYS   21  16.54 +/- 0.97   1.807% *  2.7693% (0.20   0.02   0.02) =   0.901%  kept
          HB3   PRO   52 - HB2   CYS   21  23.02 +/- 2.05   0.313% * 13.7167% (0.98   0.02   0.02) =   0.773%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.86 +/- 1.28   0.639% *  6.2738% (0.45   0.02   0.02) =   0.722%  kept
          HB3   GLN   90 - HB2   CYS   21  19.26 +/- 2.52   1.030% *  3.8908% (0.28   0.02   0.02) =   0.721%  kept
          HG    LEU  123 - HB2   CYS   21  24.61 +/- 1.61   0.175% * 13.7167% (0.98   0.02   0.02) =   0.431%
          HG2   ARG+  54 - HB2   CYS   21  23.21 +/- 1.98   0.284% *  6.8115% (0.49   0.02   0.02) =   0.348%
          HG2   PRO   93 - HB2   CYS   21  20.66 +/- 1.31   0.545% *  3.1155% (0.22   0.02   0.02) =   0.306%
    Distance limit 3.67 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.8, support = 1.5, residual support = 10.4:
          QD1   LEU   73 - HB2   CYS   21   2.65 +/- 0.81  86.684% * 94.3053% (0.80   1.50  10.40) =  99.919%  kept
          QD2   LEU   80 - HB2   CYS   21   5.48 +/- 1.27   6.365% *  0.6456% (0.41   0.02   0.02) =   0.050%
          QD1   LEU   80 - HB2   CYS   21   5.34 +/- 1.27   6.551% *  0.3496% (0.22   0.02   0.02) =   0.028%
          QG2   VAL   41 - HB2   CYS   21   8.16 +/- 0.84   0.295% *  0.5894% (0.38   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   CYS   21  12.60 +/- 1.11   0.020% *  1.2574% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   CYS   21  10.32 +/- 0.79   0.063% *  0.3496% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   CYS   21  12.93 +/- 1.07   0.015% *  1.4496% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  18.98 +/- 1.22   0.002% *  0.7040% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.47 +/- 1.05   0.003% *  0.3496% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 28.4:
      O T HA    CYS   21 - HB2   CYS   21   2.71 +/- 0.28  99.996% * 99.6850% (0.92  10.0 10.00   2.71  28.37) = 100.000%  kept
          HA    LYS+ 102 - HB2   CYS   21  18.77 +/- 1.24   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  18.54 +/- 1.42   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  20.23 +/- 1.61   0.001% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.37 +/- 1.95   0.000% *  0.0655% (0.61   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 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 2.76, residual support = 5.05:
          HN    THR   23 - HB2   CYS   21   4.40 +/- 0.27  73.861% * 25.6060% (0.53   2.11   4.25) =  50.010%  kept
          HD2   HIS   22 - HB2   CYS   21   5.36 +/- 0.46  25.903% * 72.9819% (0.92   3.42   5.86) =  49.988%  kept
          QE    PHE   95 - HB2   CYS   21  13.58 +/- 1.49   0.113% *  0.2250% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  15.02 +/- 0.88   0.051% *  0.4145% (0.90   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  15.04 +/- 1.30   0.052% *  0.2432% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  19.19 +/- 2.22   0.014% *  0.4581% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  22.08 +/- 1.36   0.005% *  0.0713% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 28.4:
      O   HN    CYS   21 - HB2   CYS   21   2.74 +/- 0.28  99.941% * 99.8294% (0.95  10.0   3.39  28.37) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.42 +/- 0.98   0.051% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.03 +/- 0.84   0.005% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  16.10 +/- 1.21   0.003% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.68 +/- 1.27   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.298, support = 0.0198, residual support = 0.0198:
          QB    LYS+  33 - HB3   CYS   21   9.30 +/- 0.62  62.663% *  4.7734% (0.23   0.02   0.02) =  55.495%  kept
          HB    VAL   41 - HB3   CYS   21  12.07 +/- 1.08  14.754% *  9.0526% (0.44   0.02   0.02) =  24.780%  kept
          QB    LYS+  81 - HB3   CYS   21  12.34 +/- 0.87  12.772% *  3.1155% (0.15   0.02   0.02) =   7.383%  kept
          HG12  ILE  103 - HB3   CYS   21  16.77 +/- 1.34   2.062% * 11.2053% (0.55   0.02   0.02) =   4.286%  kept
          QB    LYS+  66 - HB3   CYS   21  17.06 +/- 0.94   1.751% *  6.2738% (0.31   0.02   0.02) =   2.038%  kept
          HB    ILE  103 - HB3   CYS   21  19.25 +/- 1.43   0.891% *  7.3624% (0.36   0.02   0.02) =   1.217%  kept
          QB    LYS+ 106 - HB3   CYS   21  17.05 +/- 1.14   1.745% *  2.7693% (0.14   0.02   0.02) =   0.897%  kept
          HG3   PRO   68 - HB3   CYS   21  20.37 +/- 0.98   0.582% *  7.9226% (0.39   0.02   0.02) =   0.856%  kept
          HB3   GLN   90 - HB3   CYS   21  19.23 +/- 2.63   1.125% *  3.8908% (0.19   0.02   0.02) =   0.812%  kept
          HB3   PRO   52 - HB3   CYS   21  23.54 +/- 1.77   0.251% * 13.7167% (0.67   0.02   0.02) =   0.639%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.72 +/- 1.38   0.547% *  6.2738% (0.31   0.02   0.02) =   0.637%  kept
          HG    LEU  123 - HB3   CYS   21  25.85 +/- 1.70   0.150% * 13.7167% (0.67   0.02   0.02) =   0.382%
          HG2   ARG+  54 - HB3   CYS   21  23.92 +/- 1.86   0.249% *  6.8115% (0.33   0.02   0.02) =   0.315%
          HG2   PRO   93 - HB3   CYS   21  21.32 +/- 1.14   0.457% *  3.1155% (0.15   0.02   0.02) =   0.264%
    Distance limit 3.76 A violated in 20 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.73:
          QG2   THR   26 - HB3   CYS   21   2.21 +/- 0.43  99.637% * 95.4718% (0.60   2.00   2.73) =  99.996%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.04 +/- 0.98   0.357% *  1.0982% (0.69   0.02   8.77) =   0.004%
          HG2   LYS+  65 - HB3   CYS   21  14.75 +/- 2.03   0.003% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  16.56 +/- 0.91   0.001% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  18.65 +/- 1.20   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.30 +/- 2.29   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.25 +/- 1.13   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  23.43 +/- 1.43   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.549, support = 1.5, residual support = 10.4:
          QD1   LEU   73 - HB3   CYS   21   3.06 +/- 0.92  71.846% * 94.3053% (0.55   1.50  10.40) =  99.764%  kept
          QD2   LEU   80 - HB3   CYS   21   4.85 +/- 1.28  20.653% *  0.6456% (0.28   0.02   0.02) =   0.196%
          QD1   LEU   80 - HB3   CYS   21   4.91 +/- 0.99   7.253% *  0.3496% (0.15   0.02   0.02) =   0.037%
          QG2   VAL   41 - HB3   CYS   21   8.72 +/- 0.87   0.176% *  0.5894% (0.26   0.02   0.02) =   0.002%
          QD2   LEU   98 - HB3   CYS   21  10.68 +/- 0.91   0.049% *  0.3496% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   CYS   21  13.53 +/- 1.19   0.011% *  1.2574% (0.55   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   CYS   21  13.90 +/- 1.28   0.008% *  1.4496% (0.63   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  19.83 +/- 1.31   0.002% *  0.7040% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  17.13 +/- 1.23   0.002% *  0.3496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.3, residual support = 28.4:
      O   HN    CYS   21 - HB3   CYS   21   3.59 +/- 0.30  99.781% * 99.8294% (0.65  10.0   3.30  28.37) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.45 +/- 0.45   0.186% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  16.02 +/- 1.33   0.015% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.44 +/- 0.51   0.017% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.78 +/- 1.42   0.002% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.48 +/- 0.69  99.799% * 88.5641% (0.52   0.75   1.50) =  99.996%  kept
          HD1   TRP   87 - HB3   CYS   21  13.07 +/- 1.49   0.072% *  2.8546% (0.63   0.02   0.02) =   0.002%
          HN    THR   39 - HB3   CYS   21  15.66 +/- 0.58   0.023% *  2.9253% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.69 +/- 0.47   0.032% *  1.7508% (0.39   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   CYS   21  15.52 +/- 1.24   0.032% *  1.0548% (0.23   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  15.56 +/- 1.91   0.027% *  0.4185% (0.09   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  19.04 +/- 1.54   0.007% *  1.2713% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  19.21 +/- 1.62   0.007% *  1.1606% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.424, support = 2.42, residual support = 4.62:
          HN    THR   23 - HB3   CYS   21   3.40 +/- 0.52  92.809% * 20.2346% (0.36   1.90   4.25) =  77.067%  kept
          HD2   HIS   22 - HB3   CYS   21   5.52 +/- 0.30   7.116% * 78.5256% (0.63   4.19   5.86) =  22.932%  kept
          QE    PHE   95 - HB3   CYS   21  14.45 +/- 1.40   0.032% *  0.1975% (0.33   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  16.33 +/- 1.13   0.015% *  0.3639% (0.62   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  15.04 +/- 1.04   0.020% *  0.2135% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  19.42 +/- 1.74   0.006% *  0.4022% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  22.83 +/- 1.22   0.002% *  0.0626% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.42, residual support = 28.4:
      O T HA    CYS   21 - HB3   CYS   21   2.43 +/- 0.07  99.999% * 99.6850% (0.63  10.0 10.00   2.42  28.37) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.11 +/- 1.41   0.000% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.06 +/- 1.11   0.000% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  20.48 +/- 1.28   0.000% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  23.89 +/- 2.03   0.000% *  0.0655% (0.42   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 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 2.64, residual support = 33.6:
      O   HD2   HIS   22 - HB2   HIS   22   3.68 +/- 0.27  67.761% * 87.0518% (0.74  10.0   2.47  34.42) =  93.534%  kept
          HN    THR   23 - HB2   HIS   22   4.22 +/- 0.46  32.210% * 12.6601% (0.42   1.0   5.10  21.46) =   6.466%  kept
          HD1   TRP   49 - HB2   HIS   22  17.99 +/- 3.04   0.011% *  0.0935% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.09 +/- 1.81   0.010% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  19.58 +/- 1.31   0.003% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.14 +/- 1.36   0.002% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  23.52 +/- 2.06   0.001% *  0.0146% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.926, support = 3.15, residual support = 34.1:
      O   HD2   HIS   22 - HB3   HIS   22   3.63 +/- 0.35  66.680% * 94.7579% (0.95  10.0   3.08  34.42) =  97.431%  kept
          HN    THR   23 - HB3   HIS   22   4.11 +/- 0.30  33.303% *  5.0017% (0.18   1.0   5.70  21.46) =   2.569%  kept
          HD1   TRP   49 - HB3   HIS   22  18.71 +/- 2.48   0.005% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  21.05 +/- 1.20   0.002% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  19.81 +/- 1.20   0.003% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.59 +/- 1.52   0.007% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.34 +/- 0.33  99.927% * 96.0181% (0.34   3.35  21.46) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  12.23 +/- 0.93   0.068% *  1.6648% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  18.97 +/- 0.92   0.004% *  1.2197% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  24.83 +/- 0.58   0.001% *  0.6304% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  25.56 +/- 0.78   0.001% *  0.4670% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.39 +/- 0.68  98.488% * 98.4519% (0.38   3.21  12.67) =  99.976%  kept
          QD    PHE   95 - HB    THR   46   7.91 +/- 1.18   1.512% *  1.5481% (0.95   0.02   0.02) =   0.024%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.13 +/- 0.45  99.349% * 99.6646% (0.87  10.0   3.25  34.51) =  99.999%  kept
          HN    MET   92 - HB    THR   46  10.39 +/- 1.59   0.544% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB    THR   46  10.40 +/- 1.24   0.095% *  0.1126% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.92 +/- 1.54   0.012% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  31.42 +/- 3.67   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.413, support = 0.0199, residual support = 0.0199:
          QG2   THR   77 - HB2   HIS   22  11.61 +/- 1.45  22.516% * 12.9434% (0.64  1.00   0.02   0.02) =  43.535%  kept
          HB3   LEU   80 - HB2   HIS   22   9.51 +/- 1.51  69.755% *  4.0306% (0.20  1.00   0.02   0.02) =  42.001%  kept
        T HB2   LEU   63 - HB2   HIS   22  18.59 +/- 1.72   1.490% * 28.3087% (0.14 10.00   0.02   0.02) =   6.300%  kept
          HB2   LEU   31 - HB2   HIS   22  15.85 +/- 0.73   4.318% *  6.0667% (0.30  1.00   0.02   0.02) =   3.914%  kept
          QB    ALA   88 - HB2   HIS   22  18.53 +/- 1.22   1.309% * 16.1643% (0.80  1.00   0.02   0.02) =   3.160%  kept
          HG2   LYS+  38 - HB2   HIS   22  24.91 +/- 1.02   0.291% * 13.5016% (0.67  1.00   0.02   0.02) =   0.587%  kept
          HG2   LYS+  99 - HB2   HIS   22  25.44 +/- 0.98   0.231% * 11.7377% (0.58  1.00   0.02   0.02) =   0.405%
          HG2   LYS+ 111 - HB2   HIS   22  29.45 +/- 2.70   0.090% *  7.2470% (0.36  1.00   0.02   0.02) =   0.098%
    Distance limit 3.92 A violated in 20 structures by 4.98 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 13.9:
      O   HN    CYS   21 - HA    ALA   20   2.22 +/- 0.02  99.997% * 99.8294% (0.95  10.0   2.86  13.95) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.44 +/- 0.53   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  18.49 +/- 0.82   0.000% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  16.98 +/- 0.77   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.79 +/- 1.00   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   9.18 +/- 0.58 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 20 structures by 6.00 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 0.0199, residual support = 0.0199:
          QG    GLU-  79 - HA    HIS   22   4.00 +/- 1.00  99.664% * 18.5628% (0.57   0.02   0.02) =  99.707%  kept
          HB3   PHE   45 - HA    HIS   22  12.76 +/- 1.26   0.269% * 13.7211% (0.42   0.02   0.02) =   0.199%
          QG    GLN   32 - HA    HIS   22  16.57 +/- 0.65   0.048% * 27.4474% (0.85   0.02   0.02) =   0.071%
          HB    VAL  107 - HA    HIS   22  20.87 +/- 1.40   0.014% * 26.5475% (0.82   0.02   0.02) =   0.019%
          QE    LYS+ 112 - HA    HIS   22  24.56 +/- 2.54   0.006% * 13.7211% (0.42   0.02   0.02) =   0.004%
    Distance limit 3.29 A violated in 9 structures by 0.84 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 = 0.286, support = 0.02, residual support = 0.02:
        T HB2   LEU   73 - HA    HIS   22   7.26 +/- 0.65  59.651% * 28.4146% (0.26 10.00   0.02   0.02) =  91.787%  kept
          HB    VAL   83 - HA    HIS   22  10.14 +/- 1.13  10.582% *  8.1833% (0.76  1.00   0.02   0.02) =   4.689%  kept
          HD2   LYS+  74 - HA    HIS   22   8.70 +/- 1.70  27.515% *  1.7898% (0.17  1.00   0.02   0.02) =   2.667%  kept
          QD    LYS+  65 - HA    HIS   22  14.16 +/- 1.83   1.632% *  7.4210% (0.69  1.00   0.02   0.02) =   0.656%  kept
          HG3   PRO   93 - HA    HIS   22  20.84 +/- 1.29   0.114% *  8.5362% (0.79  1.00   0.02   0.02) =   0.053%
          QD    LYS+ 102 - HA    HIS   22  22.92 +/- 1.39   0.074% *  9.8627% (0.91  1.00   0.02   0.02) =   0.039%
          QD    LYS+  38 - HA    HIS   22  22.68 +/- 0.86   0.068% *  9.4340% (0.87  1.00   0.02   0.02) =   0.035%
          HB3   MET   92 - HA    HIS   22  20.39 +/- 1.86   0.147% *  4.2014% (0.39  1.00   0.02   0.02) =   0.033%
          HB2   LYS+ 121 - HA    HIS   22  24.78 +/- 1.13   0.039% *  7.0200% (0.65  1.00   0.02   0.02) =   0.015%
          QD    LYS+ 106 - HA    HIS   22  20.22 +/- 1.64   0.143% *  1.5768% (0.15  1.00   0.02   0.02) =   0.012%
          HB2   LEU  123 - HA    HIS   22  28.03 +/- 1.41   0.019% *  8.1833% (0.76  1.00   0.02   0.02) =   0.008%
          HD2   LYS+ 111 - HA    HIS   22  28.90 +/- 1.61   0.015% *  5.3768% (0.50  1.00   0.02   0.02) =   0.004%
    Distance limit 3.44 A violated in 19 structures by 3.11 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  10.34 +/- 0.34  98.449% * 67.5049% (0.39   0.02   0.02) =  99.247%  kept
          HN    LEU   40 - HA    HIS   22  20.75 +/- 0.70   1.551% * 32.4951% (0.19   0.02   0.02) =   0.753%  kept
    Distance limit 3.58 A violated in 20 structures by 6.74 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 = 5.04, residual support = 25.3:
      O   HN    VAL   24 - HA    THR   23   2.33 +/- 0.11 100.000% *100.0000% (0.64  10.0   5.04  25.29) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 25.3:
          HN    VAL   24 - HB    THR   23   2.97 +/- 0.37 100.000% *100.0000% (0.49   5.39  25.29) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.7, residual support = 19.2:
          HN    THR   23 - QG2   THR   23   3.38 +/- 0.30  88.876% * 62.4444% (0.73   4.76  19.15) =  97.395%  kept
          HD2   HIS   22 - QG2   THR   23   5.76 +/- 0.46   4.147% * 35.7388% (0.76   2.59  21.46) =   2.601%  kept
          HD1   TRP   49 - QB    ALA   91   8.25 +/- 2.61   4.839% *  0.0341% (0.09   0.02   0.02) =   0.003%
          HE3   TRP   27 - QG2   THR   23   9.13 +/- 0.53   0.259% *  0.0805% (0.22   0.02   1.57) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.57 +/- 2.04   0.787% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   39   9.58 +/- 0.77   0.211% *  0.0798% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.78 +/- 1.18   0.273% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.57 +/- 2.01   0.076% *  0.0553% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.06 +/- 1.72   0.310% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  16.51 +/- 1.60   0.009% *  0.3242% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.40 +/- 0.95   0.142% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  15.88 +/- 1.00   0.010% *  0.2483% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  18.70 +/- 0.87   0.003% *  0.3583% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.65 +/- 1.04   0.007% *  0.1233% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.07 +/- 0.93   0.014% *  0.0615% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.26 +/- 0.87   0.013% *  0.0584% (0.16   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  21.57 +/- 1.04   0.002% *  0.1005% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  18.76 +/- 1.37   0.004% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  17.83 +/- 0.54   0.005% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  18.80 +/- 1.33   0.004% *  0.0290% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  16.58 +/- 0.69   0.007% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.06 +/- 1.01   0.001% *  0.0722% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.70 +/- 0.81   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.87 +/- 1.20   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.74, residual support = 10.7:
          HB3   ASP-  86 - HA    VAL   83   2.98 +/- 0.90  99.874% * 91.0567% (0.34   1.74  10.73) =  99.996%  kept
          HG3   MET   96 - HA    VAL   83  11.73 +/- 1.74   0.103% *  3.0733% (1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - HA    VAL   83  14.63 +/- 0.99   0.019% *  0.6842% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  21.77 +/- 1.16   0.002% *  2.8370% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  22.14 +/- 0.98   0.002% *  2.3487% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2382 (2.93, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 2.25, residual support = 10.7:
        T HB2   ASP-  86 - HA    VAL   83   3.06 +/- 0.59  99.862% * 99.6258% (0.98 10.00   2.25  10.73) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.57 +/- 0.78   0.098% *  0.0912% (0.90  1.00   0.02   0.23) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.74 +/- 0.46   0.028% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.01 +/- 1.42   0.006% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.37 +/- 2.04   0.004% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  20.09 +/- 1.45   0.002% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.7, residual support = 87.0:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.02  99.996% * 99.7575% (0.57  10.0   4.70  87.04) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.32 +/- 0.90   0.002% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  16.54 +/- 1.01   0.003% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.7:
          HN    ASP-  86 - HA    VAL   83   2.99 +/- 0.16  99.945% * 97.0739% (0.95   2.25  10.73) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.39 +/- 0.65   0.022% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  11.84 +/- 0.73   0.028% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  17.80 +/- 1.92   0.004% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  21.09 +/- 2.18   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.35 +/- 1.03   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.716, support = 0.02, residual support = 8.68:
          HD1   TRP   87 - HA    VAL   83   5.19 +/- 0.70  87.848% * 16.2579% (0.73   0.02   8.97) =  92.347%  kept
          HE3   TRP   87 - HA    VAL   83   7.80 +/- 0.87   8.700% *  6.2250% (0.28   0.02   8.97) =   3.502%  kept
          HN    TRP   27 - HA    VAL   83   9.86 +/- 0.70   2.339% * 21.1793% (0.95   0.02   2.63) =   3.203%  kept
          HN    ALA   91 - HA    VAL   83  11.88 +/- 0.56   0.853% * 14.4837% (0.65   0.02   0.02) =   0.799%  kept
          HN    ALA   61 - HA    VAL   83  18.67 +/- 1.09   0.068% * 12.6757% (0.57   0.02   0.02) =   0.056%
          HN    THR   39 - HA    VAL   83  20.55 +/- 1.33   0.035% * 17.1105% (0.76   0.02   0.02) =   0.039%
          HN    LYS+ 102 - HA    VAL   83  18.20 +/- 2.31   0.111% *  4.4308% (0.20   0.02   0.02) =   0.032%
          HN    GLU-  36 - HA    VAL   83  19.54 +/- 1.16   0.046% *  7.6371% (0.34   0.02   0.02) =   0.023%
    Distance limit 3.74 A violated in 15 structures by 1.34 A, eliminated.
    Peak unassigned.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.395, support = 2.27, residual support = 11.1:
          QD2   LEU   80 - HA    VAL   24   2.57 +/- 1.02  75.474% * 71.6292% (0.41   2.36  11.06) =  91.391%  kept
          QD1   LEU   80 - HA    VAL   24   3.55 +/- 0.57  22.250% * 22.7673% (0.22   1.38  11.06) =   8.564%  kept
          QD1   LEU   73 - HA    VAL   24   5.20 +/- 0.75   2.229% *  1.1828% (0.80   0.02   0.02) =   0.045%
          QG2   VAL   41 - HA    VAL   24   9.90 +/- 0.76   0.026% *  0.5544% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.69 +/- 1.01   0.016% *  0.3289% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  14.98 +/- 0.90   0.002% *  1.1828% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  15.66 +/- 0.98   0.001% *  1.3636% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.86 +/- 1.15   0.001% *  0.3289% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.80 +/- 1.30   0.000% *  0.6622% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.4:
      O T HB    VAL   24 - HA    VAL   24   2.68 +/- 0.31  99.967% * 98.9275% (1.00  10.0 10.00   3.97  65.39) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.79 +/- 0.42   0.031% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  23.86 +/- 1.02   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.96 +/- 0.99   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  21.69 +/- 2.18   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.78 +/- 0.74   0.000% *  0.0153% (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 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 25.7:
        T HB3   TRP   27 - HA    VAL   24   3.27 +/- 0.27  99.978% * 99.7179% (1.00 10.00   3.00  25.68) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  18.53 +/- 1.07   0.004% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.89 +/- 1.91   0.006% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.39 +/- 0.85   0.008% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  19.79 +/- 0.79   0.002% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  20.46 +/- 0.81   0.002% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.4:
      O   HN    VAL   24 - HA    VAL   24   2.82 +/- 0.02 100.000% *100.0000% (0.97  10.0   4.34  65.39) = 100.000%  kept
    Distance limit 3.40 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 = 0.899, support = 5.6, residual support = 34.2:
      O   HN    GLU-  25 - HA    VAL   24   3.59 +/- 0.02  68.052% * 87.5707% (0.92  10.0   5.64  35.71) =  93.808%  kept
          HN    ASN   28 - HA    VAL   24   4.09 +/- 0.24  31.880% * 12.3396% (0.53   1.0   4.94  11.28) =   6.192%  kept
          HN    ASP-  44 - HA    VAL   24  11.46 +/- 0.64   0.068% *  0.0897% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.08, residual support = 25.7:
          HN    TRP   27 - HA    VAL   24   3.11 +/- 0.12  99.882% * 94.7433% (0.45   3.08  25.68) =  99.998%  kept
          HD1   TRP   87 - HA    VAL   24  10.41 +/- 1.34   0.100% *  1.3582% (0.99   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   24  16.23 +/- 0.36   0.005% *  1.1886% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.92 +/- 0.41   0.003% *  1.3432% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  19.26 +/- 1.65   0.002% *  0.9413% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.93 +/- 0.92   0.004% *  0.2400% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  17.81 +/- 0.88   0.003% *  0.1854% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 3.27, residual support = 65.4:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.988% * 98.9402% (0.98  10.0 10.00   3.27  65.39) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.12 +/- 0.56   0.003% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.23 +/- 0.51   0.005% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  13.72 +/- 1.86   0.002% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.16 +/- 1.08   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.71 +/- 1.21   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.10 +/- 1.40   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.36 +/- 1.99   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  20.09 +/- 1.21   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.68 +/- 1.83   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.08 +/- 1.82   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  30.29 +/- 2.27   0.000% *  0.1009% (1.00   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 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.33, residual support = 65.4:
      O   QG2   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.993% * 99.6470% (1.00  10.0   3.33  65.39) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.31 +/- 0.98   0.005% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  20.68 +/- 2.04   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.71 +/- 1.21   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.56 +/- 0.91   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.10 +/- 1.40   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.03 +/- 1.24   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  29.22 +/- 1.85   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.817, support = 2.08, residual support = 8.54:
          QD2   LEU   80 - HB    VAL   24   3.17 +/- 0.80  63.044% * 61.7546% (0.80   2.36  11.06) =  75.812%  kept
          QG1   VAL   83 - HB    VAL   24   3.90 +/- 1.47  35.803% * 34.6857% (0.87   1.22   0.65) =  24.182%  kept
          QD1   LEU   73 - HB    VAL   24   7.29 +/- 0.90   0.883% *  0.2688% (0.41   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   PRO   68  11.49 +/- 2.09   0.099% *  0.3733% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  10.53 +/- 1.16   0.094% *  0.1590% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  11.20 +/- 1.38   0.040% *  0.1630% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.18 +/- 1.12   0.011% *  0.2956% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  15.04 +/- 1.37   0.012% *  0.1590% (0.24   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  16.45 +/- 1.30   0.005% *  0.2688% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  19.40 +/- 1.53   0.002% *  0.6310% (0.97   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  19.93 +/- 1.66   0.002% *  0.3097% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  20.40 +/- 1.56   0.002% *  0.3355% (0.51   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  21.91 +/- 1.80   0.001% *  0.4997% (0.76   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  19.59 +/- 0.85   0.002% *  0.0964% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.886, support = 3.99, residual support = 65.0:
      O T HA    VAL   24 - HB    VAL   24   2.68 +/- 0.31  88.969% * 89.0301% (0.90  10.0 10.00   3.97  65.39) =  98.589%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.88 +/- 0.07  11.027% * 10.2842% (0.10  10.0  1.00   5.47  35.44) =   1.411%  kept
          HA    LYS+  38 - HB2   PRO   68  15.70 +/- 1.04   0.003% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.86 +/- 1.02   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.67 +/- 0.72   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.90 +/- 1.69   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.27, residual support = 65.4:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  99.992% * 98.6521% (0.92  10.0 10.00   3.27  65.39) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24  10.45 +/- 0.48   0.007% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.16 +/- 1.08   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  19.45 +/- 1.22   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.06 +/- 2.14   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.41 +/- 1.45   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.06 +/- 1.21   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  24.98 +/- 2.89   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.374, support = 5.81, residual support = 33.0:
          HN    GLU-  25 - HB    VAL   24   3.46 +/- 0.67  56.478% * 35.6640% (0.53   1.0   5.87  35.71) =  50.743%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.54  41.062% * 46.5984% (0.20  10.0   5.85  30.55) =  48.203%  kept
          HN    ASN   28 - HB    VAL   24   5.85 +/- 0.23   2.424% * 17.2527% (0.92   1.0   1.62  11.28) =   1.053%  kept
          HN    ASP-  44 - HB    VAL   24  13.33 +/- 1.25   0.025% *  0.1307% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  14.94 +/- 0.50   0.009% *  0.0773% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.98 +/- 1.16   0.001% *  0.1261% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.63 +/- 1.07   0.001% *  0.0788% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.34 +/- 1.25   0.000% *  0.0719% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 65.4:
      O   HN    VAL   24 - HB    VAL   24   2.42 +/- 0.25 100.000% * 99.9409% (0.38  10.0   4.68  65.39) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.94 +/- 1.19   0.000% *  0.0591% (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 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.4:
          HN    VAL   24 - QG1   VAL   24   2.25 +/- 0.42 100.000% *100.0000% (0.73   4.09  65.39) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.11, residual support = 127.7:
      O   HN    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.40  96.793% * 99.5455% (0.41  10.0   6.11 127.75) =  99.992%  kept
          HN    ASN   28 - HB2   GLU-  25   5.50 +/- 0.16   3.203% *  0.2373% (0.98   1.0   0.02   2.81) =   0.008%
          HN    ASP-  44 - HB2   GLU-  25  16.53 +/- 0.57   0.004% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.38 +/- 0.39   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.9, residual support = 127.7:
      O   HN    GLU-  25 - HB3   GLU-  25   2.40 +/- 0.64  98.301% * 99.5455% (0.41  10.0   5.90 127.75) =  99.996%  kept
          HN    ASN   28 - HB3   GLU-  25   5.74 +/- 0.15   1.697% *  0.2373% (0.98   1.0   0.02   2.81) =   0.004%
          HN    ASP-  44 - HB3   GLU-  25  16.66 +/- 0.57   0.002% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.90 +/- 0.59   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.27, residual support = 29.0:
          HN    THR   26 - HB3   GLU-  25   3.21 +/- 0.12  99.998% * 98.7472% (0.34   5.27  29.04) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.68 +/- 0.73   0.002% *  0.8402% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  32.15 +/- 0.90   0.000% *  0.4126% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.78 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   3.53 +/- 0.12  98.451% * 92.1173% (0.26   2.96   2.96) =  99.986%  kept
          HN    GLN   32 - HA    GLU-  25   9.12 +/- 0.34   0.342% *  2.4019% (1.00   0.02   0.02) =   0.009%
          HN    LEU   80 - HA    SER   82   7.72 +/- 0.35   0.963% *  0.2401% (0.10   0.02   0.20) =   0.003%
          HN    LEU   80 - HA    GLU-  25  10.88 +/- 0.96   0.140% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.48 +/- 0.94   0.037% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.46 +/- 0.28   0.052% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  17.93 +/- 1.17   0.006% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.28 +/- 1.12   0.003% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  18.85 +/- 1.28   0.005% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  25.61 +/- 1.24   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.443, support = 5.74, residual support = 120.8:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.02  85.440% * 73.9686% (0.41  10.0   5.90 127.75) =  94.420%  kept
          HN    ASN   28 - HA    GLU-  25   3.65 +/- 0.10  14.513% * 25.7367% (0.98   1.0   2.92   2.81) =   5.580%  kept
          HN    GLU-  25 - HA    SER   82  10.73 +/- 1.18   0.030% *  0.0240% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  12.29 +/- 0.92   0.011% *  0.0571% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  15.52 +/- 0.60   0.003% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.34 +/- 0.88   0.003% *  0.0261% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.78 +/- 0.55   0.000% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  27.05 +/- 1.07   0.000% *  0.0261% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.331, support = 4.01, residual support = 8.1:
          HN    ALA   84 - HA    SER   82   4.15 +/- 0.09  59.186% * 54.7161% (0.20   5.35  10.69) =  67.170%  kept
          HD21  ASN   28 - HA    GLU-  25   4.44 +/- 0.10  39.495% * 40.0656% (0.61   1.27   2.81) =  32.822%  kept
          HZ2   TRP   87 - HA    GLU-  25  11.48 +/- 3.48   0.306% *  0.4282% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   28 - HA    SER   82   9.90 +/- 1.08   0.464% *  0.2047% (0.20   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  12.07 +/- 0.70   0.105% *  0.6318% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    SER   82  10.30 +/- 1.36   0.322% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  12.13 +/- 0.91   0.108% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  22.97 +/- 0.73   0.002% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  21.80 +/- 0.79   0.003% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  22.30 +/- 0.80   0.003% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  27.28 +/- 0.90   0.001% *  0.9853% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  22.70 +/- 1.37   0.002% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  28.77 +/- 1.78   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  22.35 +/- 1.50   0.003% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.987, support = 0.75, residual support = 2.79:
          HB2   ASN   28 - HA    GLU-  25   3.59 +/- 0.25  97.011% * 72.2543% (0.99   0.75   2.81) =  99.391%  kept
          HB2   ASP-  86 - HA    SER   82   6.97 +/- 0.65   2.444% * 17.3814% (0.24   0.76   0.02) =   0.602%  kept
          QE    LYS+  33 - HA    GLU-  25  12.06 +/- 1.88   0.116% *  1.9397% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  12.05 +/- 1.37   0.092% *  1.4116% (0.73   0.02   0.02) =   0.002%
          HB2   ASP-  78 - HA    SER   82  11.45 +/- 0.40   0.102% *  0.3820% (0.20   0.02   0.02) =   0.001%
          HB2   ASN   28 - HA    SER   82  13.53 +/- 1.16   0.038% *  0.6242% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.36 +/- 0.70   0.041% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.94 +/- 1.09   0.022% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.34 +/- 0.97   0.013% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.45 +/- 0.74   0.109% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  20.73 +/- 1.98   0.003% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.26 +/- 1.43   0.004% *  0.6283% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  21.75 +/- 1.84   0.002% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  22.63 +/- 2.31   0.002% *  0.2363% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.96 +/- 0.81   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  28.86 +/- 1.08   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.82, residual support = 10.7:
          QB    ALA   84 - HA    SER   82   4.44 +/- 0.16  83.845% * 79.1930% (0.32   2.82  10.69) =  99.904%  kept
          HB3   LEU   80 - HA    SER   82   6.40 +/- 0.75  12.030% *  0.2756% (0.16   0.02   0.20) =   0.050%
          HB3   LEU   80 - HA    GLU-  25   9.33 +/- 1.08   1.300% *  0.8508% (0.49   0.02   0.02) =   0.017%
          HB2   LEU   31 - HA    GLU-  25   8.66 +/- 0.35   1.605% *  0.5962% (0.34   0.02   0.02) =   0.014%
          QB    ALA   84 - HA    GLU-  25  12.08 +/- 0.56   0.214% *  1.7325% (0.99   0.02   0.02) =   0.006%
          HB3   LEU   73 - HA    GLU-  25  10.64 +/- 0.62   0.490% *  0.7186% (0.41   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    GLU-  25  13.27 +/- 1.68   0.176% *  0.4860% (0.28   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    GLU-  25  16.45 +/- 1.28   0.037% *  1.6535% (0.95   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    GLU-  25  18.55 +/- 0.72   0.016% *  1.2693% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  17.74 +/- 1.81   0.028% *  0.5356% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.80 +/- 1.57   0.057% *  0.2328% (0.13   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.89 +/- 0.72   0.029% *  0.4112% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.14 +/- 0.72   0.019% *  0.5650% (0.32   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  15.90 +/- 1.35   0.050% *  0.1931% (0.11   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  25  18.65 +/- 0.67   0.016% *  0.5962% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.37 +/- 2.72   0.010% *  0.7837% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  22.19 +/- 1.33   0.006% *  1.1308% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.02 +/- 1.32   0.006% *  1.0602% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  23.91 +/- 0.78   0.003% *  1.7441% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  19.57 +/- 1.55   0.014% *  0.3663% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  22.87 +/- 1.56   0.005% *  0.5962% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  21.22 +/- 1.34   0.008% *  0.3434% (0.20   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  28.10 +/- 1.74   0.001% *  1.5162% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.13 +/- 1.28   0.011% *  0.1931% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  23.08 +/- 2.42   0.006% *  0.2539% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  22.03 +/- 1.49   0.006% *  0.1574% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  23.91 +/- 1.42   0.004% *  0.1931% (0.11   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  29.35 +/- 1.32   0.001% *  0.4912% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  24.49 +/- 1.88   0.003% *  0.1574% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  33.07 +/- 1.37   0.001% *  0.9196% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  27.66 +/- 1.52   0.002% *  0.2979% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.85 +/- 2.38   0.001% *  0.4860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 11 structures by 0.92 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    SER   82  14.22 +/- 1.62  61.736% *  7.4304% (0.30   0.02   0.02) =  49.995%  kept
          QG2   VAL  108 - HA    GLU-  25  19.01 +/- 1.62  11.227% * 22.9376% (0.92   0.02   0.02) =  28.066%  kept
          HB2   LEU  104 - HA    GLU-  25  23.29 +/- 1.12   3.453% * 19.8967% (0.80   0.02   0.02) =   7.488%  kept
          QD1   ILE  119 - HA    GLU-  25  23.13 +/- 1.15   3.572% * 12.0948% (0.49   0.02   0.02) =   4.709%  kept
          QD1   ILE  119 - HA    SER   82  21.16 +/- 1.11   6.011% *  3.9180% (0.16   0.02   0.02) =   2.567%  kept
          HG    LEU   63 - HA    GLU-  25  22.74 +/- 1.30   4.076% *  5.5320% (0.22   0.02   0.02) =   2.458%  kept
          HB2   LEU  104 - HA    SER   82  23.44 +/- 1.67   3.290% *  6.4453% (0.26   0.02   0.02) =   2.311%  kept
          HG    LEU   63 - HA    SER   82  21.99 +/- 1.42   4.839% *  1.7920% (0.07   0.02   0.02) =   0.945%  kept
          HG3   LYS+ 112 - HA    GLU-  25  32.70 +/- 1.26   0.457% * 15.0711% (0.61   0.02   0.02) =   0.750%  kept
          HG3   LYS+ 112 - HA    SER   82  27.28 +/- 1.07   1.338% *  4.8821% (0.20   0.02   0.02) =   0.712%  kept
    Distance limit 3.90 A violated in 20 structures by 9.15 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.255, support = 2.16, residual support = 11.9:
          HB2   GLU-  29 - HA    THR   26   2.49 +/- 0.56  90.393% * 13.8094% (0.22   0.97   1.39) =  61.845%  kept
          HB2   GLU-  25 - HA    THR   26   4.07 +/- 0.33   9.593% * 80.2755% (0.31   4.07  29.04) =  38.154%  kept
          HB3   ASP-  76 - HA    THR   26  13.83 +/- 0.70   0.005% *  1.1450% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.93 +/- 0.88   0.002% *  1.1450% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.11 +/- 1.58   0.004% *  0.5249% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.72 +/- 1.40   0.001% *  1.2077% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.66 +/- 0.79   0.001% *  0.6215% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  24.94 +/- 0.98   0.000% *  0.8770% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  26.58 +/- 1.72   0.000% *  0.3941% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.69, residual support = 35.6:
      O   HN    THR   26 - HA    THR   26   2.84 +/- 0.02  99.996% * 99.6670% (0.34  10.0   4.69  35.62) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.40 +/- 0.54   0.004% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  30.55 +/- 0.66   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.477, support = 1.27, residual support = 3.27:
          HN    GLN   30 - HA    THR   26   4.10 +/- 0.35  20.176% * 78.6352% (0.69   1.51   4.82) =  54.873%  kept
          HN    GLU-  29 - HA    THR   26   3.19 +/- 0.13  79.811% * 16.3484% (0.22   0.97   1.39) =  45.127%  kept
          HN    GLU-  14 - HA    THR   26  16.68 +/- 1.34   0.004% *  1.4816% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.76 +/- 0.76   0.006% *  0.9168% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  19.31 +/- 0.88   0.002% *  1.2625% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.22 +/- 2.09   0.001% *  1.3555% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.381, support = 2.23, residual support = 14.0:
          HN    THR   23 - HB    THR   26   3.47 +/- 0.29  97.690% * 68.5331% (0.38   2.25  14.11) =  99.089%  kept
          HD2   HIS   22 - HB    THR   26   6.63 +/- 0.79   2.283% * 26.9448% (0.99   0.33   0.02) =   0.910%  kept
          HD21  ASN   35 - HB    THR   26  15.45 +/- 1.05   0.015% *  1.1160% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  19.69 +/- 1.09   0.003% *  1.2416% (0.76   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.75 +/- 1.24   0.006% *  0.5542% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.93 +/- 2.00   0.002% *  1.6103% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 22.2:
          HN    TRP   27 - HB    THR   26   3.24 +/- 0.24  99.963% * 98.0787% (0.84   4.44  22.20) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  15.45 +/- 1.24   0.010% *  0.4588% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.02 +/- 0.39   0.011% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.18 +/- 0.49   0.005% *  0.4743% (0.90   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.12 +/- 1.21   0.003% *  0.2174% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  17.65 +/- 1.82   0.005% *  0.0926% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  21.72 +/- 0.86   0.001% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.30 +/- 1.57   0.002% *  0.1632% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.6:
      O   HN    THR   26 - HB    THR   26   2.07 +/- 0.18  99.999% * 99.9615% (0.80  10.0   4.16  35.62) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  16.03 +/- 0.60   0.001% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.188, support = 0.745, residual support = 2.68:
          HA    CYS   21 - QG2   THR   26   2.26 +/- 0.54  99.357% * 23.7619% (0.18   0.75   2.73) =  98.094%  kept
          HA    ALA   20 - QG2   THR   26   5.57 +/- 0.43   0.619% * 74.0577% (0.87   0.47   0.02) =   1.905%  kept
          HA    LEU   71 - QG2   THR   26  10.26 +/- 0.55   0.022% *  0.5583% (0.15   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QG2   THR   26  16.65 +/- 1.17   0.001% *  1.6221% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.891, support = 0.0199, residual support = 0.0199:
          HB2   GLU-  14 - QG2   THR   26  11.27 +/- 1.48  71.466% * 18.7520% (0.92   0.02   0.02) =  79.898%  kept
          HG2   MET   11 - QG2   THR   26  17.82 +/- 2.85   8.023% * 19.2160% (0.95   0.02   0.02) =   9.191%  kept
          HB2   PRO   93 - QG2   THR   26  18.28 +/- 0.80   4.715% * 12.3210% (0.61   0.02   0.02) =   3.464%  kept
          HG2   PRO   58 - QG2   THR   26  20.18 +/- 0.86   2.488% * 17.6208% (0.87   0.02   0.02) =   2.613%  kept
          HG3   PRO   52 - QG2   THR   26  21.02 +/- 1.91   2.043% * 17.6208% (0.87   0.02   0.02) =   2.146%  kept
          HB2   PRO   68 - QG2   THR   26  17.54 +/- 1.44   7.019% *  3.1343% (0.15   0.02   0.02) =   1.312%  kept
          HB    VAL  108 - QG2   THR   26  19.45 +/- 1.47   2.950% *  5.0653% (0.25   0.02   0.02) =   0.891%  kept
          HB2   ARG+  54 - QG2   THR   26  22.62 +/- 1.22   1.297% *  6.2698% (0.31   0.02   0.02) =   0.485%
    Distance limit 3.40 A violated in 20 structures by 7.19 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.82:
        T HG2   GLN   30 - QG2   THR   26   3.23 +/- 0.52  99.013% * 99.5048% (0.99 10.00   0.75   4.82) =  99.997%  kept
          HB3   ASN   28 - QG2   THR   26   7.36 +/- 0.19   0.979% *  0.2584% (0.97  1.00   0.02   0.02) =   0.003%
          QE    LYS+ 121 - QG2   THR   26  18.91 +/- 1.89   0.004% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.69 +/- 0.91   0.004% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.951, support = 3.12, residual support = 22.8:
          QD1   LEU   73 - HB3   TRP   27   2.56 +/- 0.69  67.937% * 56.7486% (1.00   3.18  28.73) =  75.255%  kept
          QD2   LEU   80 - HB3   TRP   27   3.65 +/- 1.45  30.088% * 42.1285% (0.80   2.94   4.84) =  24.743%  kept
          QG1   VAL   83 - HB3   TRP   27   4.95 +/- 0.70   1.964% *  0.0626% (0.18   0.02   2.63) =   0.002%
          QD1   LEU   63 - HB3   TRP   27  12.91 +/- 0.79   0.005% *  0.3573% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.37 +/- 0.87   0.004% *  0.2023% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.75 +/- 1.09   0.001% *  0.2023% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  19.15 +/- 1.37   0.001% *  0.2984% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 25.7:
        T HA    VAL   24 - HB3   TRP   27   3.27 +/- 0.27  99.622% * 98.5200% (0.76 10.00   3.00  25.68) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  16.15 +/- 0.60   0.008% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   8.55 +/- 0.71   0.362% *  0.0174% (0.14  1.00   0.02   2.63) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.59 +/- 0.98   0.008% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 25.7:
          HA    VAL   24 - HB2   TRP   27   2.08 +/- 0.21  99.999% * 99.1878% (0.97   3.00  25.68) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.73 +/- 0.55   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  15.56 +/- 0.96   0.001% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  20.08 +/- 1.37   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.937, support = 3.03, residual support = 12.9:
          QD2   LEU   80 - HB2   TRP   27   3.47 +/- 1.35  60.038% * 42.5976% (0.98   2.84   4.84) =  63.569%  kept
          QD1   LEU   73 - HB2   TRP   27   3.82 +/- 0.58  28.503% * 48.0348% (0.90   3.49  28.73) =  34.032%  kept
          QG1   VAL   83 - HB2   TRP   27   4.49 +/- 0.71  11.438% *  8.4382% (0.38   1.47   2.63) =   2.399%  kept
          QD1   LEU   63 - HB2   TRP   27  14.17 +/- 0.84   0.009% *  0.2749% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.58 +/- 1.11   0.003% *  0.2560% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  14.65 +/- 0.89   0.007% *  0.0946% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  20.30 +/- 1.37   0.001% *  0.3038% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.09, residual support = 18.6:
          QD1   LEU   31 - HA    ASN   28   2.93 +/- 0.46 100.000% *100.0000% (0.76   3.09  18.55) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 4.99, residual support = 91.0:
      O T HA    GLU-  29 - HG3   GLU-  29   3.53 +/- 0.16  99.439% * 97.0747% (0.22  10.0 10.00   4.99  91.03) =  99.993%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.32 +/- 1.01   0.474% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HG3   GLU-  29  15.14 +/- 1.51   0.023% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  14.87 +/- 1.46   0.028% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  18.45 +/- 1.94   0.008% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.37 +/- 1.22   0.006% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.74 +/- 1.12   0.021% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  31.31 +/- 1.81   0.000% *  0.2821% (0.65   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 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 100.0:
      O   HD1   TRP   27 - HB2   TRP   27   2.63 +/- 0.04  99.265% * 99.7286% (0.98  10.0   3.66 100.04) =  99.999%  kept
          HE21  GLN   30 - HB2   TRP   27   8.30 +/- 1.84   0.734% *  0.0939% (0.92   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   TRP   27  18.20 +/- 1.03   0.001% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  23.36 +/- 1.77   0.000% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.32, residual support = 100.0:
      O   HN    TRP   27 - HB2   TRP   27   2.13 +/- 0.11  99.984% * 99.5184% (0.76  10.0   5.32 100.04) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  10.55 +/- 1.34   0.009% *  0.1202% (0.92   1.0   0.02   5.97) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  14.40 +/- 0.38   0.001% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.98 +/- 0.43   0.001% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  12.61 +/- 1.99   0.004% *  0.0176% (0.14   1.0   0.02   5.97) =   0.000%
          HN    ALA   91 - HB2   TRP   27  17.41 +/- 0.86   0.000% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.74 +/- 1.55   0.000% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  17.21 +/- 0.91   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.3, residual support = 47.4:
          HN    ASN   28 - HB2   TRP   27   2.94 +/- 0.25  94.041% * 99.5399% (0.92   5.30  47.40) =  99.996%  kept
          HN    GLU-  25 - HB2   TRP   27   4.73 +/- 0.13   5.899% *  0.0628% (0.15   0.02   0.31) =   0.004%
          HN    ASP-  44 - HB2   TRP   27  10.47 +/- 0.62   0.059% *  0.0713% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  19.61 +/- 0.68   0.001% *  0.3260% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.767, support = 4.47, residual support = 98.7:
      O   HE3   TRP   27 - HB3   TRP   27   3.00 +/- 0.23  91.531% * 85.9564% (0.76  10.0   4.50 100.04) =  98.602%  kept
          HN    THR   23 - HB3   TRP   27   4.89 +/- 0.60   8.145% * 13.6975% (0.98   1.0   2.48   1.57) =   1.398%  kept
          HD2   HIS   22 - HB3   TRP   27   8.03 +/- 0.68   0.305% *  0.0250% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.49 +/- 1.00   0.012% *  0.1115% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  16.69 +/- 0.89   0.003% *  0.0773% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.70 +/- 1.75   0.002% *  0.0384% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  22.09 +/- 0.99   0.001% *  0.0939% (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 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 100.0:
      O   HD1   TRP   27 - HB3   TRP   27   3.57 +/- 0.14  92.622% * 99.7286% (0.98  10.0   4.09 100.04) =  99.992%  kept
          HE21  GLN   30 - HB3   TRP   27   7.38 +/- 1.72   7.367% *  0.0939% (0.92   1.0   0.02   0.02) =   0.007%
          QD    PHE   59 - HB3   TRP   27  16.91 +/- 0.99   0.009% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  22.74 +/- 1.75   0.002% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 100.0:
      O   HN    TRP   27 - HB3   TRP   27   2.91 +/- 0.21  99.896% * 99.5184% (0.76  10.0   5.64 100.04) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  10.36 +/- 1.27   0.059% *  0.1202% (0.92   1.0   0.02   5.97) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.18 +/- 0.57   0.006% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  14.16 +/- 0.48   0.009% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  12.61 +/- 1.86   0.019% *  0.0176% (0.14   1.0   0.02   5.97) =   0.000%
          HN    ALA   61 - HB3   TRP   27  15.68 +/- 0.89   0.005% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.18 +/- 1.54   0.003% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.97 +/- 0.92   0.003% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 47.4:
          HN    ASN   28 - HB3   TRP   27   4.13 +/- 0.10  99.985% * 99.4716% (0.65   5.77  47.40) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  18.10 +/- 0.78   0.015% *  0.5284% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.42 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.88, residual support = 18.6:
          HN    LEU   31 - HA    ASN   28   3.15 +/- 0.09  99.949% * 95.4922% (0.22   3.88  18.55) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.91 +/- 0.37   0.021% *  2.1661% (0.98   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ASN   28  12.33 +/- 0.26   0.028% *  0.3870% (0.18   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  21.15 +/- 0.77   0.001% *  0.6144% (0.28   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  26.30 +/- 0.99   0.000% *  1.3403% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.56, residual support = 8.5:
          HN    GLN   30 - HA    ASN   28   3.78 +/- 0.10  99.387% * 93.5751% (0.18   4.56   8.50) =  99.996%  kept
          HN    ASN   35 - HA    ASN   28   9.02 +/- 0.37   0.565% *  0.5222% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  99 - HA    ASN   28  14.51 +/- 1.27   0.035% *  2.1651% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.70 +/- 2.32   0.006% *  2.0345% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.27 +/- 1.17   0.006% *  1.7031% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.25, residual support = 94.4:
      O   HN    ASN   28 - HB2   ASN   28   2.69 +/- 0.11  99.986% * 99.7686% (0.65  10.0   6.25  94.44) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  12.40 +/- 1.16   0.013% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.85 +/- 0.91   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.89 +/- 0.71   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.6, residual support = 94.4:
      O   HD22  ASN   28 - HB3   ASN   28   3.11 +/- 0.13  99.989% * 99.9746% (0.98  10.0   3.60  94.44) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  14.23 +/- 0.73   0.011% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.46, residual support = 94.4:
      O   HD21  ASN   28 - HB3   ASN   28   3.91 +/- 0.07  98.566% * 99.7595% (0.87  10.0   3.46  94.44) =  99.998%  kept
          HZ2   TRP   87 - HB3   ASN   28   9.58 +/- 3.92   1.413% *  0.1127% (0.98   1.0   0.02   0.02) =   0.002%
          QE    PHE   60 - HB3   ASN   28  16.71 +/- 1.01   0.017% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  22.24 +/- 0.85   0.003% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  27.32 +/- 0.89   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.505, support = 5.43, residual support = 30.1:
          HN    GLU-  29 - HB3   ASN   28   3.59 +/- 0.16  89.092% * 46.5990% (0.45   5.75  33.08) =  87.988%  kept
          HN    GLN   30 - HB3   ASN   28   5.12 +/- 0.07  10.824% * 52.3590% (0.92   3.14   8.50) =  12.011%  kept
          HN    ASP-  86 - HB3   ASN   28  12.44 +/- 1.08   0.064% *  0.3137% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  16.18 +/- 1.49   0.014% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.74 +/- 1.36   0.003% *  0.2896% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.03 +/- 2.36   0.002% *  0.2340% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 94.4:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.02  98.574% * 99.8777% (0.92  10.0   6.05  94.44) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.21 +/- 0.23   1.403% *  0.0167% (0.15   1.0   0.02   2.81) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  14.63 +/- 0.72   0.021% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.68 +/- 0.87   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.371, support = 0.0198, residual support = 8.42:
          HN    GLN   30 - HB2   ASN   28   4.49 +/- 0.06  98.199% *  7.8959% (0.38   0.02   8.50) =  98.973%  kept
          HN    LYS+  99 - HB2   ASN   35  11.53 +/- 1.02   0.414% *  6.5298% (0.31   0.02   0.02) =   0.345%
          HN    GLN   30 - HB2   ASN   35   9.89 +/- 1.05   1.090% *  2.4562% (0.12   0.02   0.02) =   0.342%
          HN    ASP-  86 - HB2   ASN   28  13.12 +/- 0.98   0.177% *  6.4934% (0.31   0.02   0.02) =   0.147%
          HN    LYS+  99 - HB2   ASN   28  17.33 +/- 1.35   0.035% * 20.9915% (1.00   0.02   0.02) =   0.093%
          HN    GLU-  14 - HB2   ASN   28  20.00 +/- 1.41   0.014% * 19.9013% (0.95   0.02   0.02) =   0.036%
          HN    GLU-  14 - HB2   ASN   35  17.85 +/- 1.52   0.030% *  6.1907% (0.29   0.02   0.02) =   0.024%
          HE1   HIS  122 - HB2   ASN   28  22.49 +/- 2.27   0.007% * 20.9915% (1.00   0.02   0.02) =   0.020%
          HE1   HIS  122 - HB2   ASN   35  19.84 +/- 3.07   0.019% *  6.5298% (0.31   0.02   0.02) =   0.015%
          HN    ASP-  86 - HB2   ASN   35  20.17 +/- 1.95   0.014% *  2.0199% (0.10   0.02   0.02) =   0.004%
    Distance limit 3.18 A violated in 20 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.73, residual support = 94.4:
      O   HD21  ASN   28 - HB2   ASN   28   4.06 +/- 0.05  98.934% * 99.5979% (0.61  10.0   3.73  94.44) =  99.999%  kept
          HZ2   TRP   87 - HB2   ASN   28  10.47 +/- 3.74   0.879% *  0.1315% (0.80   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB2   ASN   28  16.59 +/- 0.94   0.023% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  15.32 +/- 3.45   0.068% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  13.57 +/- 1.29   0.088% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  19.90 +/- 1.65   0.008% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.44, residual support = 19.3:
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  96.983% * 98.9280% (0.49  10.0   5.44  19.27) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.87 +/- 0.15   1.731% *  0.0222% (0.11   1.0   0.02   1.21) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.43 +/- 0.35   1.119% *  0.0271% (0.13   1.0   0.02   0.29) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.25 +/- 1.58   0.047% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.01 +/- 1.31   0.047% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.32 +/- 1.72   0.008% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.94 +/- 1.23   0.009% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.41 +/- 0.96   0.022% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.47 +/- 0.85   0.010% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.22 +/- 2.44   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  17.60 +/- 1.44   0.007% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.80 +/- 2.41   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.43 +/- 2.73   0.003% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.05 +/- 1.11   0.006% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.06 +/- 0.82   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 5.13, residual support = 85.1:
      O   HN    GLU-  29 - HB2   GLU-  29   2.40 +/- 0.45  87.984% * 60.1692% (0.41  10.0   5.05  91.03) =  91.795%  kept
          HN    GLN   30 - HB2   GLU-  29   3.41 +/- 0.33  12.011% * 39.3970% (0.90   1.0   6.00  19.27) =   8.205%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.41 +/- 1.85   0.002% *  0.1222% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.62 +/- 1.05   0.001% *  0.1222% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.52 +/- 1.15   0.001% *  0.0888% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.40 +/- 2.25   0.000% *  0.1005% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.496, support = 4.76, residual support = 78.4:
      O   HN    GLU-  29 - HB3   GLU-  29   3.24 +/- 0.46  69.947% * 66.1575% (0.41  10.0   4.80  91.03) =  82.442%  kept
          HN    GLN   30 - HB3   GLU-  29   3.81 +/- 0.32  29.727% * 33.1526% (0.90   1.0   4.59  19.27) =  17.558%  kept
          HN    GLN   30 - QB    GLU-  36   9.11 +/- 0.40   0.174% *  0.0447% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.39 +/- 0.50   0.079% *  0.0205% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  12.53 +/- 1.89   0.038% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.95 +/- 2.14   0.009% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.53 +/- 0.70   0.016% *  0.0302% (0.19   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.58 +/- 0.92   0.003% *  0.1344% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.51 +/- 1.25   0.003% *  0.0976% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.58 +/- 2.44   0.001% *  0.1105% (0.69   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.00 +/- 2.42   0.003% *  0.0342% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  20.93 +/- 0.90   0.001% *  0.0416% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.9, support = 4.38, residual support = 90.6:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.88 +/- 0.12  28.373% * 95.1378% (0.99  10.0 10.00   4.39  91.03) =  90.357%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.46 +/- 0.08  71.581% *  4.0244% (0.04  10.0 10.00   4.30  86.79) =   9.643%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.40 +/- 0.96   0.030% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.88 +/- 1.19   0.012% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  15.94 +/- 1.13   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.54 +/- 0.90   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.48 +/- 1.56   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  18.96 +/- 1.13   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.39 +/- 1.12   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.06 +/- 1.17   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.69 +/- 0.73   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.58 +/- 0.79   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.83 +/- 1.15   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  30.62 +/- 2.10   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  23.19 +/- 0.90   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  28.57 +/- 1.78   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.287, residual support = 0.287:
          QD    LYS+  33 - HA    GLN   30   4.15 +/- 0.82  99.848% * 81.5449% (0.95   0.29   0.29) =  99.995%  kept
          HD2   LYS+  74 - HA    GLN   30  13.65 +/- 1.15   0.136% *  2.2522% (0.38   0.02   0.02) =   0.004%
          QB    ALA   57 - HA    GLN   30  20.37 +/- 0.94   0.012% *  4.1220% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  26.44 +/- 1.87   0.003% *  5.6765% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  31.37 +/- 1.98   0.001% *  4.3575% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  30.28 +/- 1.55   0.001% *  2.0469% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 6 structures by 0.59 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 = 0.167, support = 0.0198, residual support = 0.0198:
          QD1   LEU   71 - HA    GLN   30   7.45 +/- 1.61  98.638% *  8.2693% (0.15   0.02   0.02) =  96.545%  kept
          QD2   LEU  123 - HA    GLN   30  22.52 +/- 1.51   0.269% * 48.0646% (0.90   0.02   0.02) =   1.530%  kept
          HB3   LEU  104 - HA    GLN   30  19.93 +/- 1.09   0.445% * 22.0331% (0.41   0.02   0.02) =   1.160%  kept
          QD1   LEU  123 - HA    GLN   30  20.52 +/- 1.28   0.433% *  8.2693% (0.15   0.02   0.02) =   0.424%
          HG3   LYS+ 121 - HA    GLN   30  22.68 +/- 2.07   0.216% * 13.3638% (0.25   0.02   0.02) =   0.341%
    Distance limit 3.94 A violated in 20 structures by 3.50 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.23, residual support = 153.2:
      O   HN    GLN   30 - HA    GLN   30   2.84 +/- 0.01  97.593% * 99.6773% (0.98  10.0   6.23 153.17) =  99.999%  kept
          HN    GLU-  29 - HA    GLN   30   5.26 +/- 0.02   2.388% *  0.0576% (0.57   1.0   0.02  19.27) =   0.001%
          HN    GLU-  14 - HA    GLN   30  13.44 +/- 1.29   0.011% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.89 +/- 1.15   0.005% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.34 +/- 0.65   0.002% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.49 +/- 2.52   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 6.29, residual support = 153.2:
      O   HN    GLN   30 - HB2   GLN   30   2.85 +/- 0.64  98.001% * 99.6773% (0.98  10.0   6.29 153.17) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.52 +/- 0.74   1.952% *  0.0576% (0.57   1.0   0.02  19.27) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  14.37 +/- 1.29   0.016% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.98 +/- 1.34   0.020% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.36 +/- 0.86   0.006% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.85 +/- 2.47   0.006% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 6.42, residual support = 153.2:
      O   HN    GLN   30 - HB3   GLN   30   2.61 +/- 0.59  98.405% * 99.4549% (0.65  10.0   6.42 153.17) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.25 +/- 0.68   1.568% *  0.0304% (0.20   1.0   0.02  19.27) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  14.04 +/- 1.26   0.011% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.56 +/- 0.85   0.006% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.97 +/- 2.60   0.006% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.08 +/- 0.76   0.005% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 6.99, residual support = 151.8:
          HN    GLN   30 - HG2   GLN   30   3.52 +/- 0.27  95.064% * 82.4258% (0.65   7.02 153.17) =  98.996%  kept
          HN    GLU-  29 - HG2   GLN   30   5.77 +/- 0.38   4.857% * 16.3587% (0.20   4.55  19.27) =   1.004%  kept
          HN    GLU-  14 - HG2   GLN   30  12.91 +/- 1.08   0.049% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.86 +/- 1.05   0.013% *  0.3149% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  17.88 +/- 2.05   0.007% *  0.3352% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.78 +/- 0.92   0.010% *  0.2056% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.92, residual support = 153.2:
      O   HE21  GLN   30 - HG2   GLN   30   3.85 +/- 0.23  99.207% * 99.6917% (0.87  10.0   3.92 153.17) =  99.999%  kept
          HD1   TRP   27 - HG2   GLN   30   8.74 +/- 0.66   0.784% *  0.1147% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HG2   GLN   30  18.76 +/- 0.91   0.008% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  27.92 +/- 1.65   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.82, residual support = 153.2:
      O   HE21  GLN   30 - HG3   GLN   30   3.97 +/- 0.21  88.477% * 99.5784% (0.87  10.0   2.82 153.17) =  99.998%  kept
          QD    PHE   59 - HB2   PRO   93   6.09 +/- 0.83   9.510% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          HD1   TRP   27 - HG3   GLN   30   8.93 +/- 0.55   0.704% *  0.1145% (1.00   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   9.22 +/- 1.32   0.891% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  11.15 +/- 1.46   0.347% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.25 +/- 1.24   0.011% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  15.49 +/- 1.72   0.042% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.24 +/- 1.18   0.010% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  27.67 +/- 1.86   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  20.85 +/- 1.35   0.005% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.34 +/- 1.86   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  27.32 +/- 1.71   0.001% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.27 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 6.03, residual support = 151.9:
          HN    GLN   30 - HG3   GLN   30   3.91 +/- 0.35  94.300% * 84.1023% (0.65   6.06 153.17) =  99.059%  kept
          HN    GLU-  29 - HG3   GLN   30   6.31 +/- 0.42   5.390% * 13.9596% (0.20   3.29  19.27) =   0.940%  kept
          HN    GLU-  14 - HG3   GLN   30  12.93 +/- 1.13   0.100% *  0.4252% (0.99   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   GLN   30  15.40 +/- 1.24   0.034% *  0.3722% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  17.27 +/- 2.36   0.023% *  0.3961% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.78 +/- 0.92   0.017% *  0.2429% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  13.63 +/- 1.15   0.063% *  0.0309% (0.07   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  16.46 +/- 1.77   0.021% *  0.0796% (0.19   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.81 +/- 0.61   0.025% *  0.0189% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.89 +/- 1.78   0.005% *  0.0748% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  18.35 +/- 0.75   0.011% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  22.09 +/- 1.27   0.003% *  0.0488% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  22.18 +/- 0.73   0.003% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.89 +/- 1.62   0.001% *  0.0558% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  28.44 +/- 1.00   0.001% *  0.0331% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  34.08 +/- 1.59   0.000% *  0.0855% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  23.57 +/- 0.68   0.002% *  0.0066% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  30.43 +/- 1.66   0.000% *  0.0171% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.35 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.198, support = 3.45, residual support = 29.1:
          HG    LEU   31 - HB3   GLN   30   4.90 +/- 0.53  19.418% * 73.8812% (0.15  1.00   5.79  48.33) =  53.536%  kept
          QD2   LEU   73 - HB3   GLN   30   3.60 +/- 0.61  80.572% * 15.4527% (0.25  1.00   0.75   6.97) =  46.462%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.88 +/- 1.20   0.005% *  8.0439% (0.49 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB3   GLN   30  21.15 +/- 1.99   0.003% *  1.6198% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  21.40 +/- 1.70   0.003% *  1.0023% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.95, residual support = 6.96:
          QD1   LEU   73 - HB3   GLN   30   2.58 +/- 0.82  99.173% * 96.6643% (0.87   2.95   6.97) =  99.995%  kept
          QD2   LEU   80 - HB3   GLN   30   7.91 +/- 1.44   0.528% *  0.7492% (0.99   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB3   GLN   30   8.51 +/- 0.69   0.242% *  0.3108% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   GLN   30  14.11 +/- 1.30   0.020% *  0.6557% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.41 +/- 0.85   0.018% *  0.6557% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.17 +/- 0.77   0.018% *  0.2102% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  20.27 +/- 1.65   0.001% *  0.7542% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.728, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  21.27 +/- 1.36  24.724% * 54.6388% (0.97   0.02   0.02) =  48.589%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.05 +/- 2.27  27.673% * 36.6255% (0.65   0.02   0.02) =  36.454%  kept
          QD1   ILE   56 - HB2   GLN   30  18.93 +/- 1.34  47.603% *  8.7356% (0.15   0.02   0.02) =  14.957%  kept
    Distance limit 3.44 A violated in 20 structures by 13.21 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.78, residual support = 6.96:
          QD1   LEU   73 - HB2   GLN   30   2.86 +/- 0.85  99.103% * 96.4708% (0.87   2.78   6.97) =  99.994%  kept
          QD2   LEU   80 - HB2   GLN   30   8.18 +/- 1.51   0.523% *  0.7927% (0.99   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB2   GLN   30   8.80 +/- 0.85   0.278% *  0.3288% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.40 +/- 0.80   0.029% *  0.6937% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  14.03 +/- 1.25   0.027% *  0.6937% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.10 +/- 0.80   0.037% *  0.2224% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  20.25 +/- 1.53   0.002% *  0.7980% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.75, residual support = 153.2:
      O T HA    GLN   30 - HG3   GLN   30   2.97 +/- 0.63  96.372% * 98.6729% (0.65  10.0 10.00   4.75 153.17) =  99.999%  kept
        T HD3   PRO   52 - HB2   PRO   93  10.20 +/- 1.58   0.150% *  0.0863% (0.06   1.0 10.00   0.02   0.71) =   0.000%
          HB    THR   39 - HG3   GLN   30  10.19 +/- 0.89   0.101% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30   9.83 +/- 0.94   0.124% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   7.99 +/- 1.89   1.958% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.40 +/- 1.18   0.334% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93   7.87 +/- 1.39   0.745% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  14.08 +/- 1.43   0.014% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  15.28 +/- 1.43   0.011% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.40 +/- 0.49   0.151% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  15.11 +/- 1.32   0.012% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  19.83 +/- 1.19   0.002% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  15.24 +/- 1.62   0.008% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.63 +/- 1.41   0.010% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  23.02 +/- 0.92   0.001% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.65 +/- 1.57   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.32 +/- 1.95   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.37 +/- 1.58   0.001% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  29.46 +/- 1.67   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  19.07 +/- 0.98   0.002% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.28 +/- 1.51   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.69 +/- 1.06   0.001% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  27.18 +/- 1.96   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  25.19 +/- 0.87   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  29.97 +/- 2.07   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  27.63 +/- 1.13   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  32.51 +/- 1.66   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.7, residual support = 20.7:
          HZ2   TRP   27 - QD1   LEU   31   2.84 +/- 0.38  99.970% * 99.7916% (0.87   1.70  20.75) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  11.40 +/- 1.12   0.030% *  0.2084% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.841, support = 0.723, residual support = 9.98:
          HZ2   TRP   87 - QD1   LEU   31   5.44 +/- 3.14  53.896% * 45.5806% (0.76   0.75   1.89) =  51.449%  kept
          HD21  ASN   28 - QD1   LEU   31   4.68 +/- 0.50  45.471% * 50.9758% (0.92   0.69  18.55) =  48.545%  kept
          HN    ALA   84 - QD1   LEU   31   9.95 +/- 0.83   0.431% *  0.4422% (0.28   0.02   0.02) =   0.004%
          QE    PHE   60 - QD1   LEU   31  11.93 +/- 1.13   0.160% *  0.3148% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  15.58 +/- 0.90   0.028% *  1.2155% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  20.11 +/- 0.88   0.006% *  1.0289% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  19.57 +/- 1.26   0.007% *  0.4422% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  10.99 +/- 0.69  60.365% * 52.6698% (0.97   0.02   0.02) =  80.942%  kept
          HN    ASP- 105 - QD1   LEU   31  12.03 +/- 1.27  38.571% * 18.6164% (0.34   0.02   0.02) =  18.281%  kept
          HN    PHE   55 - QD1   LEU   31  21.58 +/- 0.91   1.064% * 28.7138% (0.53   0.02   0.02) =   0.778%  kept
    Distance limit 4.18 A violated in 20 structures by 5.85 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.4, residual support = 230.9:
          HN    LEU   31 - HG    LEU   31   2.87 +/- 0.58  99.921% * 99.1069% (0.67   7.40 230.90) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.93 +/- 0.67   0.076% *  0.2075% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  19.77 +/- 1.17   0.002% *  0.2877% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  25.66 +/- 0.92   0.000% *  0.3179% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  26.02 +/- 1.02   0.000% *  0.0800% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.9:
      O   HN    LEU   31 - HB3   LEU   31   3.52 +/- 0.04  99.648% * 99.3670% (0.34  10.0   7.14 230.90) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   9.17 +/- 0.56   0.350% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.28 +/- 0.83   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  27.61 +/- 0.91   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 5.73, residual support = 44.3:
          HN    GLN   32 - HB3   LEU   31   3.71 +/- 0.19  86.485% * 80.1079% (0.76   5.90  45.77) =  96.375%  kept
          HN    ALA   34 - HB3   LEU   31   5.13 +/- 0.26  13.481% * 19.3278% (0.84   1.30   4.72) =   3.625%  kept
          HN    LEU   80 - HB3   LEU   31  15.44 +/- 0.80   0.018% *  0.2580% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  15.92 +/- 1.07   0.016% *  0.1333% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.87 +/- 1.03   0.001% *  0.1729% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.56, residual support = 18.6:
        T HA    ASN   28 - HB2   LEU   31   3.23 +/- 0.38  98.612% * 98.0556% (0.73 10.00   2.56  18.55) =  99.992%  kept
        T HA    ALA   34 - HB2   LEU   31   7.89 +/- 0.25   0.565% *  1.2110% (0.90 10.00   0.02   4.72) =   0.007%
          HA1   GLY  101 - HB2   LEU   31  10.15 +/- 2.42   0.429% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.23 +/- 0.33   0.392% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.63 +/- 1.89   0.000% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  23.47 +/- 1.00   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.66 +/- 1.52   0.001% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  25.10 +/- 1.02   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  28.46 +/- 1.32   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.9:
      O   HN    LEU   31 - HB2   LEU   31   2.45 +/- 0.15  99.976% * 99.3670% (0.34  10.0   7.14 230.90) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31  10.07 +/- 0.42   0.024% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.77 +/- 0.88   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  27.89 +/- 0.93   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.761, support = 5.88, residual support = 45.6:
          HN    GLN   32 - HB2   LEU   31   2.71 +/- 0.20  98.350% * 80.1073% (0.76   5.90  45.77) =  99.599%  kept
          HN    ALA   34 - HB2   LEU   31   5.45 +/- 0.15   1.643% * 19.3285% (0.84   1.30   4.72) =   0.401%
          HN    LEU   80 - HB2   LEU   31  14.79 +/- 0.83   0.004% *  0.2580% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  15.67 +/- 1.00   0.003% *  0.1333% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  26.12 +/- 1.04   0.000% *  0.1729% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2469 (7.88, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 230.9:
      O   HN    LEU   31 - HA    LEU   31   2.79 +/- 0.04  99.816% * 99.3670% (0.34  10.0   7.14 230.90) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   8.04 +/- 0.40   0.183% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.74 +/- 0.74   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  26.89 +/- 0.78   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.775, support = 5.25, residual support = 39.4:
      O   HN    GLN   32 - HA    LEU   31   3.60 +/- 0.03  34.059% * 91.1827% (0.76  10.0   5.90  45.77) =  84.519%  kept
          HN    ALA   34 - HA    LEU   31   3.22 +/- 0.24  65.930% *  8.6278% (0.84   1.0   1.73   4.72) =  15.481%  kept
          HN    LEU   80 - HA    LEU   31  15.21 +/- 0.76   0.007% *  0.0866% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  16.80 +/- 0.93   0.004% *  0.0448% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  25.31 +/- 1.02   0.000% *  0.0581% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.545, support = 0.0199, residual support = 1.12:
          QD1   LEU   73 - HA    LEU   31   5.46 +/- 1.00  89.032% * 10.4319% (0.49   0.02   1.35) =  82.880%  kept
          QG1   VAL   83 - HA    LEU   31   9.37 +/- 0.93   4.755% * 17.1611% (0.80   0.02   0.02) =   7.281%  kept
          QD2   LEU   80 - HA    LEU   31  10.14 +/- 1.46   3.414% * 18.5904% (0.87   0.02   0.02) =   5.664%  kept
          QD1   LEU  104 - HA    LEU   31  11.71 +/- 1.26   1.827% * 21.2420% (0.99   0.02   0.02) =   3.463%  kept
          QD1   LEU   63 - HA    LEU   31  13.74 +/- 0.82   0.520% * 10.4319% (0.49   0.02   0.02) =   0.484%
          QG2   ILE   89 - HA    LEU   31  14.28 +/- 0.70   0.405% *  4.2413% (0.20   0.02   0.02) =   0.153%
          QD2   LEU  115 - HA    LEU   31  20.50 +/- 1.41   0.046% * 17.9012% (0.84   0.02   0.02) =   0.074%
    Distance limit 3.75 A violated in 14 structures by 1.61 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.528, support = 2.86, residual support = 8.93:
          HD1   TRP   87 - QG2   VAL   83   3.59 +/- 0.89  90.720% * 76.2036% (0.53   2.90   8.97) =  98.710%  kept
          HE3   TRP   87 - QG2   VAL   83   6.38 +/- 0.98   3.700% * 12.6341% (0.45   0.56   8.97) =   0.668%  kept
          HN    TRP   27 - QG2   VAL   83   7.03 +/- 0.83   4.898% *  8.7985% (1.00   0.18   2.63) =   0.615%  kept
          HN    ALA   91 - QG2   VAL   83   9.51 +/- 0.79   0.495% *  0.8354% (0.84   0.02   0.02) =   0.006%
          HN    ALA   61 - QG2   VAL   83  13.31 +/- 0.98   0.112% *  0.7643% (0.76   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   VAL   83  15.47 +/- 1.07   0.036% *  0.5662% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.05 +/- 1.02   0.038% *  0.1979% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 3 structures by 0.42 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  10.86 +/- 1.22 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.11 A violated in 20 structures by 7.75 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.485, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QG2   VAL   42   7.98 +/- 0.92  72.084% * 17.5479% (0.39   0.02   0.02) =  61.836%  kept
          HE21  GLN   30 - QG2   VAL   42   9.99 +/- 1.86  22.530% * 30.1124% (0.67   0.02   0.02) =  33.164%  kept
          HD1   TRP   27 - QG2   VAL   42  12.50 +/- 0.79   4.936% * 17.5479% (0.39   0.02   0.02) =   4.234%  kept
          HH2   TRP   49 - QG2   VAL   42  19.48 +/- 1.29   0.450% * 34.7918% (0.77   0.02   0.02) =   0.766%  kept
    Distance limit 3.29 A violated in 20 structures by 4.08 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 0.327, residual support = 1.28:
          QD2   LEU   40 - QG2   VAL   42   2.76 +/- 0.98  69.003% * 65.1597% (0.79  1.00   0.34   1.31) =  97.329%  kept
          QD1   LEU   67 - QG2   VAL   42   4.58 +/- 2.16  28.239% *  3.9116% (0.80  1.00   0.02   0.02) =   2.391%  kept
        T HB    VAL   75 - QG2   VAL   42   7.93 +/- 0.65   0.412% * 19.0823% (0.39 10.00   0.02   0.02) =   0.170%
          QD2   LEU   71 - QG2   VAL   42   6.99 +/- 0.74   1.069% *  1.9082% (0.39  1.00   0.02   2.24) =   0.044%
          QG2   ILE  103 - QG2   VAL   42   6.61 +/- 0.92   0.492% *  3.8856% (0.79  1.00   0.02   0.02) =   0.041%
          QD1   ILE  103 - QG2   VAL   42   7.12 +/- 0.97   0.411% *  1.4713% (0.30  1.00   0.02   0.02) =   0.013%
          QG2   ILE  119 - QG2   VAL   42   7.75 +/- 1.17   0.316% *  0.8728% (0.18  1.00   0.02   0.02) =   0.006%
          HG3   LYS+  74 - QG2   VAL   42  10.88 +/- 0.86   0.058% *  3.7085% (0.76  1.00   0.02   0.02) =   0.005%
    Distance limit 3.01 A violated in 0 structures by 0.11 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 = 0.978, support = 4.01, residual support = 20.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.31 +/- 0.34  61.364% * 97.8039% (0.99 10.00   4.06  20.75) =  98.606%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.04 +/- 1.34  38.636% *  2.1961% (0.07 10.00   0.66   1.27) =   1.394%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 48.3:
          HE22  GLN   30 - QD2   LEU   31   4.12 +/- 0.14  93.942% * 99.1219% (0.90   3.20  48.33) =  99.997%  kept
          HE22  GLN   30 - QG2   VAL   43   7.22 +/- 1.28   5.757% *  0.0419% (0.06   0.02   0.02) =   0.003%
          HD22  ASN   69 - QD2   LEU   31  13.49 +/- 1.31   0.094% *  0.4469% (0.65   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  12.77 +/- 1.20   0.132% *  0.0302% (0.04   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.60 +/- 0.75   0.012% *  0.3363% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  14.08 +/- 0.61   0.063% *  0.0228% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.4:
      O T HA    VAL   43 - QG2   VAL   43   2.35 +/- 0.48  99.587% * 99.3737% (0.50  10.0 10.00   3.00  60.42) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   6.60 +/- 0.68   0.351% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.75 +/- 1.42   0.025% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.30 +/- 0.72   0.025% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  12.68 +/- 0.79   0.007% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  13.31 +/- 1.05   0.006% *  0.0371% (0.19   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 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.169, support = 2.83, residual support = 19.3:
        T HZ3   TRP   27 - QD2   LEU   31   2.43 +/- 0.26  77.223% * 78.8572% (0.14 10.00   2.93  20.75) =  92.672%  kept
          HZ3   TRP   27 - QG2   VAL   43   3.79 +/- 1.48  22.777% * 21.1428% (0.50  1.00   1.54   1.27) =   7.328%  kept
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.912, support = 4.27, residual support = 44.2:
          HN    GLN   32 - QG    GLN   32   3.67 +/- 0.42  90.958% * 85.7906% (0.92   4.30  44.94) =  98.446%  kept
          HN    ALA   34 - QG    GLN   32   5.59 +/- 0.30   9.026% * 13.6492% (0.22   2.83   0.12) =   1.554%  kept
          HN    SER   85 - QG    GLN   32  18.96 +/- 1.09   0.005% *  0.4176% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  17.83 +/- 1.02   0.008% *  0.0668% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  22.05 +/- 0.51   0.002% *  0.0758% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.3, residual support = 44.9:
      O   HN    GLN   32 - QB    GLN   32   2.13 +/- 0.06  99.340% * 99.8359% (0.92  10.0   4.30  44.94) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.93 +/- 0.11   0.659% *  0.0241% (0.22   1.0   0.02   0.12) =   0.000%
          HN    SER   85 - QB    GLN   32  17.66 +/- 0.84   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.13 +/- 0.84   0.001% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  20.84 +/- 0.64   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.216, support = 5.67, residual support = 65.6:
      O   HN    GLU-  29 - HA    GLU-  29   2.71 +/- 0.01  81.902% * 27.4129% (0.14  10.0   5.79  91.03) =  64.538%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.50 +/- 0.01  17.346% * 71.1184% (0.36  10.0   5.44  19.27) =  35.460%  kept
          HN    GLN   30 - HA    GLN   32   6.87 +/- 0.15   0.309% *  0.1093% (0.55   1.0   0.02   1.21) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.43 +/- 0.35   0.201% *  0.1125% (0.57   1.0   0.02   0.29) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.77 +/- 0.32   0.152% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.09 +/- 0.54   0.061% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.25 +/- 1.58   0.008% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.01 +/- 1.31   0.008% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.41 +/- 0.96   0.004% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  17.60 +/- 1.44   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.32 +/- 1.72   0.002% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.47 +/- 0.85   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  18.05 +/- 1.11   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.94 +/- 1.23   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.80 +/- 2.41   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.43 +/- 2.73   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  21.06 +/- 0.82   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.22 +/- 2.44   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.24, residual support = 44.8:
      O   HN    GLN   32 - HA    GLN   32   2.76 +/- 0.04  80.402% * 80.5410% (0.39  10.0   4.24  44.94) =  99.460%  kept
          HN    GLN   32 - HA    LYS+  33   5.20 +/- 0.10   1.818% * 18.8103% (0.40   1.0   4.54  12.61) =   0.525%  kept
          HN    GLN   32 - HA    GLU-  29   3.56 +/- 0.15  17.775% *  0.0524% (0.25   1.0   0.02   0.02) =   0.014%
          HN    SER   85 - HA    GLU-  29  17.78 +/- 0.75   0.001% *  0.0855% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  19.84 +/- 1.05   0.001% *  0.1313% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.57 +/- 0.74   0.000% *  0.1351% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  22.61 +/- 0.62   0.000% *  0.0692% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.98 +/- 0.78   0.001% *  0.0143% (0.07   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.85 +/- 0.61   0.000% *  0.0713% (0.34   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  22.14 +/- 0.67   0.000% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.24 +/- 0.87   0.000% *  0.0219% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.02 +/- 0.83   0.000% *  0.0226% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2486 (7.94, 4.01, 59.34 ppm):
    12 chemical-shift based assignments, quality = 0.654, support = 5.54, residual support = 143.4:
      O   HN    LYS+  33 - HA    LYS+  33   2.84 +/- 0.02  75.895% * 79.3011% (0.69  10.0   5.63 152.35) =  93.574%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.54 +/- 0.02  20.264% * 20.3940% (0.18  10.0   4.31  12.61) =   6.425%  kept
          HN    LYS+  33 - HA    GLU-  29   4.89 +/- 0.59   3.817% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    LYS+  33  14.32 +/- 0.67   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.07 +/- 0.57   0.014% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.20 +/- 0.47   0.003% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  23.26 +/- 0.61   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.04 +/- 1.07   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.72 +/- 0.67   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  20.60 +/- 0.78   0.001% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.07 +/- 1.25   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.49 +/- 1.15   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.249, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   7.70 +/- 0.60  96.890% *  5.4417% (0.14   0.02   0.02) =  84.198%  kept
          QD    PHE   60 - QB    LYS+  33  15.68 +/- 0.63   1.555% * 37.1179% (0.92   0.02   0.02) =   9.216%  kept
          HN    LYS+  81 - QB    LYS+  33  18.15 +/- 0.74   0.618% * 39.4132% (0.98   0.02   0.02) =   3.888%  kept
          HN    LYS+  66 - QB    LYS+  33  17.03 +/- 0.79   0.937% * 18.0271% (0.45   0.02   0.02) =   2.699%  kept
    Distance limit 3.62 A violated in 20 structures by 4.04 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.83, residual support = 152.4:
      O   HN    LYS+  33 - QB    LYS+  33   2.18 +/- 0.26  99.991% * 99.9232% (0.97  10.0   5.83 152.35) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.67 +/- 0.66   0.009% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.31 +/- 0.90   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.91, support = 5.84, residual support = 43.0:
          HN    ALA   34 - QB    LYS+  33   2.98 +/- 0.23  90.449% * 67.4447% (0.92   5.93  44.50) =  95.213%  kept
          HN    GLN   32 - QB    LYS+  33   4.47 +/- 0.32   9.545% * 32.1315% (0.65   4.03  12.61) =   4.787%  kept
          HN    LEU   80 - QB    LYS+  33  15.98 +/- 0.88   0.004% *  0.2058% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  18.99 +/- 0.57   0.001% *  0.0685% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.65 +/- 1.10   0.000% *  0.1495% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.302, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33   9.07 +/- 1.21  91.963% *  8.4971% (0.20   0.02   0.02) =  77.743%  kept
          HN    ILE  103 - QB    LYS+  33  15.32 +/- 1.18   5.119% * 24.3087% (0.57   0.02   0.02) =  12.380%  kept
          HN    SER   82 - QB    LYS+  33  17.81 +/- 0.77   2.249% * 34.3809% (0.80   0.02   0.02) =   7.691%  kept
          HN    GLN   90 - QB    LYS+  33  21.65 +/- 1.30   0.670% * 32.8133% (0.76   0.02   0.02) =   2.186%  kept
    Distance limit 3.82 A violated in 20 structures by 5.11 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.524, support = 5.38, residual support = 151.5:
      O   HA    LYS+  33 - HG2   LYS+  33   3.82 +/- 0.26  80.087% * 94.2510% (0.53  10.0   5.39 152.35) =  99.407%  kept
          HB2   SER   82 - QG    LYS+  81   5.62 +/- 0.52  10.493% *  4.1812% (0.13   1.0   3.51  12.86) =   0.578%  kept
          HB2   SER   37 - HG2   LYS+  33   6.55 +/- 1.18   5.968% *  0.1496% (0.84   1.0   0.02   0.02) =   0.012%
          HA    GLU-  29 - HG2   LYS+  33   7.41 +/- 1.06   2.057% *  0.0672% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  10.55 +/- 1.56   0.296% *  0.1496% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33   9.47 +/- 1.38   0.627% *  0.0611% (0.34   1.0   0.02   0.02) =   0.001%
          HA1   GLY   16 - HG2   LYS+  33  10.48 +/- 1.76   0.347% *  0.0872% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.68 +/- 1.23   0.030% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  15.28 +/- 1.23   0.026% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  17.89 +/- 1.93   0.012% *  0.0371% (0.21   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.06 +/- 0.74   0.011% *  0.0322% (0.18   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  16.87 +/- 0.83   0.012% *  0.0293% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.32 +/- 1.18   0.003% *  0.0907% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  19.65 +/- 1.27   0.005% *  0.0498% (0.28   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.64 +/- 1.99   0.004% *  0.0529% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  20.98 +/- 0.38   0.003% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  22.35 +/- 1.12   0.002% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.99 +/- 1.92   0.005% *  0.0302% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.81 +/- 1.24   0.003% *  0.0572% (0.32   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.30 +/- 1.75   0.001% *  0.1496% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  21.44 +/- 0.61   0.003% *  0.0451% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.62 +/- 1.43   0.003% *  0.0408% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.16 +/- 0.67   0.001% *  0.0716% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  22.86 +/- 0.98   0.002% *  0.0417% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 124.4:
        T QD1   ILE   56 - QG2   ILE   56   2.62 +/- 0.61  99.923% * 99.6085% (0.98 10.00   4.87 124.40) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  12.79 +/- 1.76   0.024% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  14.73 +/- 1.36   0.009% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  12.86 +/- 1.27   0.017% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  11.50 +/- 1.36   0.026% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  18.74 +/- 1.63   0.002% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.22 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   3.67 +/- 1.36  95.645% * 49.9558% (0.99 10.00   0.02   0.02) =  99.867%  kept
          HA    GLU- 114 - QG2   ILE   56   8.68 +/- 1.07   4.313% *  1.2568% (0.25  1.00   0.02   0.02) =   0.113%
        T HA    ILE   19 - QG2   ILE   56  17.35 +/- 1.49   0.022% * 42.0992% (0.84 10.00   0.02   0.02) =   0.019%
          HA    THR   26 - QG2   ILE   56  21.49 +/- 1.69   0.006% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  21.80 +/- 1.79   0.005% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  20.47 +/- 1.68   0.009% *  0.7777% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 7 structures by 0.87 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 = 0.873, support = 3.5, residual support = 16.8:
          HA    PHE   55 - QG2   ILE   56   4.87 +/- 0.90  31.573% * 87.7285% (0.92   4.11  19.80) =  81.770%  kept
          HA    ALA  110 - QG2   ILE   56   5.18 +/- 2.85  54.898% * 11.2250% (0.65   0.75   3.34) =  18.192%  kept
          HA    THR   46 - QG2   ILE   56   6.17 +/- 1.84  13.312% *  0.0916% (0.20   0.02   0.02) =   0.036%
          HA    GLN   90 - QG2   ILE   56  11.11 +/- 1.37   0.134% *  0.3536% (0.76   0.02   0.02) =   0.001%
          HA    VAL   42 - QG2   ILE   56  12.63 +/- 1.72   0.070% *  0.3705% (0.80   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  16.32 +/- 1.32   0.012% *  0.1154% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  24.56 +/- 1.53   0.001% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.32 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  10.72 +/- 1.23 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 7.80 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.5:
          HN    ALA   57 - QG2   ILE   56   3.46 +/- 0.79  90.655% * 99.1190% (0.92   5.34  33.50) =  99.965%  kept
          HE21  GLN  116 - QG2   ILE   56   8.27 +/- 2.15   8.724% *  0.3490% (0.87   0.02   0.02) =   0.034%
          HN    ALA  120 - QG2   ILE   56   9.93 +/- 1.49   0.584% *  0.1959% (0.49   0.02   0.02) =   0.001%
          HE21  GLN   90 - QG2   ILE   56  13.85 +/- 1.59   0.037% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.35 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.644, support = 6.64, residual support = 123.9:
          HN    ILE   56 - QG2   ILE   56   2.82 +/- 0.43  90.201% * 90.5833% (0.65   6.66 124.40) =  99.568%  kept
          HN    LYS+ 111 - QG2   ILE   56   5.91 +/- 1.83   4.260% *  8.1865% (0.28   1.40   2.10) =   0.425%
          QE    PHE   60 - QG2   ILE   56   7.22 +/- 1.94   5.065% *  0.0832% (0.20   0.02   2.16) =   0.005%
          HN    LEU   63 - QG2   ILE   56   7.91 +/- 1.23   0.460% *  0.3211% (0.76   0.02   0.02) =   0.002%
          HZ2   TRP   87 - QG2   ILE   56  15.31 +/- 1.86   0.005% *  0.3211% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  14.56 +/- 1.68   0.007% *  0.1168% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  19.15 +/- 1.87   0.001% *  0.3879% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.792, support = 1.59, residual support = 3.64:
        T HB    THR   39 - QB    ALA   34   4.33 +/- 0.51  48.689% * 88.7381% (0.80 10.00   1.60   3.80) =  93.789%  kept
          HB3   SER   37 - QB    ALA   34   4.63 +/- 0.38  32.088% *  6.1536% (0.69  1.00   1.31   1.29) =   4.286%  kept
          HA    GLN   30 - QB    ALA   34   5.14 +/- 0.48  19.091% *  4.6429% (0.44  1.00   1.55   1.28) =   1.924%  kept
          QB    SER   13 - QB    ALA   34  13.15 +/- 1.20   0.068% *  0.1138% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.09 +/- 1.42   0.028% *  0.1222% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  16.64 +/- 0.47   0.014% *  0.0942% (0.69  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.26 +/- 0.78   0.016% *  0.0463% (0.34  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.70 +/- 1.19   0.002% *  0.0698% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  20.53 +/- 0.68   0.004% *  0.0190% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 1.0, residual support = 4.72:
          HA    LEU   31 - QB    ALA   34   2.64 +/- 0.31 100.000% *100.0000% (0.65   1.00   4.72) = 100.000%  kept
    Distance limit 3.25 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 = 0.749, support = 2.96, residual support = 9.22:
        T QG1   VAL   41 - QB    ALA   34   1.78 +/- 0.20  99.393% * 98.5777% (0.75 10.00   2.96   9.22) =  99.999%  kept
          HG    LEU   31 - QB    ALA   34   5.10 +/- 0.61   0.318% *  0.1089% (0.83  1.00   0.02   4.72) =   0.000%
          QD2   LEU   73 - QB    ALA   34   5.70 +/- 0.67   0.186% *  0.0945% (0.72  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QB    ALA   34   6.07 +/- 0.49   0.094% *  0.0763% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34   9.03 +/- 0.54   0.008% *  0.4852% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  16.11 +/- 0.74   0.000% *  0.6209% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.53 +/- 0.87   0.001% *  0.0364% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.31, residual support = 18.7:
          HN    ASN   35 - QB    ALA   34   2.93 +/- 0.04  99.936% * 98.5992% (0.62   3.31  18.74) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.22 +/- 0.51   0.059% *  0.2677% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.98 +/- 1.34   0.003% *  0.8654% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.59 +/- 0.70   0.001% *  0.2677% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.75, residual support = 25.7:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.08  99.995% * 99.6936% (0.58  10.0   3.75  25.72) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.16 +/- 0.37   0.004% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  14.60 +/- 0.60   0.001% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  21.75 +/- 0.81   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 3.55, residual support = 25.7:
      O   HN    ALA   34 - HA    ALA   34   2.77 +/- 0.02  99.611% * 99.6949% (0.87  10.0   3.55  25.72) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.98 +/- 0.11   0.388% *  0.0287% (0.25   1.0   0.02   0.12) =   0.000%
          HN    LEU   80 - HA    ALA   34  19.18 +/- 0.71   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  27.72 +/- 0.98   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  23.34 +/- 1.85   0.000% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.77 +/- 1.11   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  29.95 +/- 1.14   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.09 +/- 1.86   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.889, support = 1.44, residual support = 2.23:
          HB3   SER   37 - HA    ALA   34   3.12 +/- 0.46  74.161% * 34.7293% (0.89   1.10   1.29) =  62.664%  kept
          HB    THR   39 - HA    ALA   34   3.85 +/- 0.47  24.753% * 61.9891% (0.88   2.00   3.80) =  37.333%  kept
          HA    GLN   30 - HA    ALA   34   6.62 +/- 0.65   1.060% *  0.1108% (0.16   0.02   1.28) =   0.003%
          QB    SER   13 - HA    ALA   34  14.13 +/- 1.63   0.011% *  0.6103% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.28 +/- 0.43   0.008% *  0.1110% (0.16   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.12 +/- 1.54   0.001% *  0.4592% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.87 +/- 0.95   0.001% *  0.4833% (0.69   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  17.86 +/- 2.06   0.003% *  0.1423% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  22.20 +/- 0.55   0.001% *  0.6310% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.81 +/- 2.16   0.001% *  0.1449% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  21.96 +/- 2.18   0.001% *  0.1401% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  27.62 +/- 1.23   0.000% *  0.1449% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  30.20 +/- 1.43   0.000% *  0.1408% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.71 +/- 1.88   0.000% *  0.0254% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  33.54 +/- 1.71   0.000% *  0.1054% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.07 +/- 1.07   0.000% *  0.0323% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.04, residual support = 55.4:
      O T HA    ASN   35 - HB2   ASN   35   2.75 +/- 0.06  99.910% * 97.5620% (0.90  10.0 10.00   4.04  55.44) = 100.000%  kept
        T HA    LEU   40 - HB2   ASN   35  10.43 +/- 0.62   0.036% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.94 +/- 0.51   0.010% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35  10.80 +/- 0.93   0.032% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  14.91 +/- 1.14   0.005% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  16.61 +/- 0.80   0.002% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  17.44 +/- 0.87   0.002% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  19.33 +/- 2.03   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  17.32 +/- 1.18   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  25.29 +/- 2.28   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.65 +/- 1.78   0.000% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  29.89 +/- 1.21   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.98 +/- 1.34   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  27.51 +/- 0.75   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.39 +/- 1.27   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.08 +/- 1.69   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.85 +/- 1.33   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.47 +/- 1.02   0.000% *  0.0139% (0.13   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 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.89, residual support = 55.4:
      O   HN    ASN   35 - HB2   ASN   35   2.81 +/- 0.62  99.888% * 99.6071% (0.57  10.0   5.89  55.44) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.53 +/- 1.02   0.035% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.57 +/- 0.39   0.063% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  17.85 +/- 1.52   0.004% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  19.84 +/- 3.07   0.002% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.33 +/- 1.35   0.004% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.39 +/- 2.67   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.00 +/- 1.41   0.002% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.49 +/- 2.27   0.001% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  24.48 +/- 2.47   0.001% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.6, residual support = 55.4:
      O   HD21  ASN   35 - HB2   ASN   35   2.78 +/- 0.53  99.897% * 99.7208% (1.00  10.0   3.60  55.44) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.44 +/- 1.04   0.083% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.98 +/- 0.65   0.015% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  20.12 +/- 1.27   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.56 +/- 0.77   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  20.27 +/- 2.03   0.001% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.43 +/- 1.62   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  21.84 +/- 0.81   0.001% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  26.76 +/- 1.85   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  31.31 +/- 1.97   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.916, support = 2.34, residual support = 8.2:
        T HA    GLN   32 - HB2   ASN   35   3.66 +/- 0.89  54.404% * 74.5092% (0.99 10.00   2.16   6.30) =  91.309%  kept
        T HA    GLU-  29 - HB2   ASN   28   3.83 +/- 0.12  41.023% *  7.9767% (0.11 10.00   4.70  33.08) =   7.371%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.60 +/- 0.27   3.631% * 16.0879% (0.22 10.00   1.92   1.15) =   1.316%  kept
        T HA    GLN   32 - HB2   ASN   28   8.05 +/- 0.60   0.555% *  0.2318% (0.31 10.00   0.02   0.02) =   0.003%
        T HA    GLU-  29 - HB2   ASN   35   9.17 +/- 0.81   0.168% *  0.2564% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.38 +/- 0.58   0.110% *  0.0521% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  11.78 +/- 1.40   0.050% *  0.0105% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  21.95 +/- 1.20   0.001% *  0.3370% (0.45 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  15.70 +/- 0.98   0.008% *  0.0282% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  16.90 +/- 1.41   0.007% *  0.0282% (0.38  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.67 +/- 0.98   0.020% *  0.0088% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  21.71 +/- 1.07   0.001% *  0.1048% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  15.21 +/- 0.51   0.011% *  0.0088% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.95 +/- 0.97   0.004% *  0.0229% (0.30  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  23.86 +/- 1.71   0.001% *  0.0737% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.73 +/- 1.87   0.001% *  0.0282% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  21.64 +/- 2.52   0.001% *  0.0337% (0.45  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.89 +/- 1.19   0.001% *  0.0195% (0.26  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  20.52 +/- 0.99   0.002% *  0.0088% (0.12  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  29.12 +/- 1.69   0.000% *  0.0628% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.39 +/- 1.30   0.000% *  0.0229% (0.30  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  31.96 +/- 1.85   0.000% *  0.0737% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.53 +/- 1.81   0.000% *  0.0102% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.48 +/- 1.34   0.000% *  0.0032% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.88, residual support = 52.1:
          QB    GLU-  36 - HB3   ASN   35   4.13 +/- 0.11  95.798% * 98.6165% (0.99   4.88  52.11) =  99.995%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.23 +/- 0.52   3.601% *  0.0714% (0.18   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HB3   ASN   35  10.42 +/- 0.59   0.411% *  0.3763% (0.92   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB3   ASN   35  11.80 +/- 0.46   0.185% *  0.2308% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  22.19 +/- 0.96   0.004% *  0.3934% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  27.83 +/- 1.08   0.001% *  0.3115% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.784, support = 5.14, residual support = 47.0:
          QB    GLU-  36 - HB2   ASN   35   4.73 +/- 0.30  33.074% * 69.0782% (0.99  1.00   5.29  52.11) =  72.977%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.69 +/- 0.69  41.549% * 11.3448% (0.18  1.00   4.89  33.08) =  15.056%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.18 +/- 0.47  21.805% * 17.1682% (0.29  1.00   4.53  33.08) =  11.958%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.07 +/- 0.48   2.974% *  0.0462% (0.18  1.00   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HB2   ASN   35  10.97 +/- 0.82   0.225% *  0.2434% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  13.73 +/- 1.06   0.058% *  0.7916% (0.30 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  12.27 +/- 1.12   0.128% *  0.1493% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.37 +/- 0.50   0.164% *  0.0813% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  21.16 +/- 1.37   0.004% *  0.6268% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  22.34 +/- 1.57   0.003% *  0.2545% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.49 +/- 0.56   0.012% *  0.0144% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.66 +/- 1.61   0.001% *  0.2015% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.534, support = 1.9, residual support = 5.74:
          HA    GLN   32 - HB3   ASN   35   3.19 +/- 0.41  91.632% * 37.3206% (0.49  1.00   1.96   6.30) =  89.210%  kept
          HA    LYS+  33 - HB3   ASN   35   4.94 +/- 0.36   8.097% * 51.0531% (0.92  1.00   1.41   1.15) =  10.783%  kept
          HA    GLU-  29 - HB3   ASN   35   8.69 +/- 0.51   0.245% *  0.7755% (0.99  1.00   0.02   0.02) =   0.005%
        T HA    VAL   18 - HB3   ASN   35  15.56 +/- 0.83   0.008% *  7.8068% (1.00 10.00   0.02   0.02) =   0.002%
          HA    VAL   70 - HB3   ASN   35  13.73 +/- 0.77   0.016% *  0.5061% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  21.56 +/- 1.79   0.001% *  0.7807% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  24.08 +/- 1.36   0.001% *  0.4116% (0.53  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.10 +/- 1.20   0.000% *  0.5979% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  29.08 +/- 1.14   0.000% *  0.5061% (0.65  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.08 +/- 1.23   0.000% *  0.2415% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.4:
      O   HA    ASN   35 - HB3   ASN   35   3.00 +/- 0.04  99.895% * 99.4336% (0.90  10.0   3.95  55.44) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  11.20 +/- 0.92   0.044% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.73 +/- 0.42   0.050% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  14.65 +/- 1.33   0.009% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  18.93 +/- 2.18   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  25.54 +/- 2.08   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  30.09 +/- 1.11   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.06 +/- 0.92   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.25 +/- 1.25   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.4:
      O   HD21  ASN   35 - HB3   ASN   35   2.57 +/- 0.44  99.999% * 99.8105% (1.00  10.0   3.26  55.44) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.82 +/- 0.80   0.001% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.62 +/- 0.83   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.37 +/- 1.36   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  26.94 +/- 1.58   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 52.1:
          HN    GLU-  36 - HB3   ASN   35   2.97 +/- 0.08  99.471% * 98.9717% (0.97   5.91  52.11) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   7.27 +/- 0.19   0.467% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  11.47 +/- 1.57   0.052% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  14.02 +/- 0.50   0.009% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  19.34 +/- 1.36   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.4:
      O   HN    ASN   35 - HB3   ASN   35   2.53 +/- 0.41 100.000% * 99.9102% (0.97  10.0   5.88  55.44) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.94 +/- 2.80   0.000% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 55.4:
      O   HD22  ASN   35 - HB3   ASN   35   3.66 +/- 0.21 100.000% *100.0000% (0.99  10.0   3.26  55.44) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 52.1:
          HN    GLU-  36 - HB2   ASN   35   3.52 +/- 0.13  98.272% * 98.9280% (0.92   6.05  52.11) =  99.996%  kept
          HN    THR   39 - HB2   ASN   35   7.24 +/- 0.28   1.397% *  0.1863% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   35  10.91 +/- 1.62   0.201% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.92 +/- 0.42   0.068% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.85 +/- 1.36   0.033% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.36 +/- 1.92   0.009% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  19.18 +/- 1.67   0.005% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.26 +/- 0.42   0.015% *  0.0580% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 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  99.993% * 99.4140% (0.84  10.0 10.00   5.58  86.79) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.17 +/- 0.87   0.006% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.65 +/- 1.05   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.37 +/- 0.88   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.89 +/- 0.57   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.32 +/- 1.93   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  23.69 +/- 1.68   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  30.84 +/- 0.88   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.06 +/- 2.00   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  30.26 +/- 1.67   0.000% *  0.0082% (0.07   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 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.9:
          HN    SER   37 - QB    GLU-  36   3.51 +/- 0.22  82.558% * 95.6966% (0.45   3.72  18.94) =  99.942%  kept
          HN    LYS+  33 - QB    GLU-  36   4.82 +/- 0.23  12.730% *  0.3190% (0.28   0.02   0.02) =   0.051%
          HN    LYS+  33 - HB3   GLU-  29   5.92 +/- 0.72   4.523% *  0.0988% (0.09   0.02   0.02) =   0.006%
          HN    CYS   21 - HB3   GLU-  29  10.90 +/- 0.92   0.108% *  0.3430% (0.30   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.35 +/- 0.80   0.012% *  1.1073% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.75 +/- 0.85   0.064% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  22.87 +/- 0.67   0.001% *  0.7422% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.70 +/- 1.01   0.001% *  0.9953% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  20.75 +/- 0.78   0.002% *  0.2299% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.94 +/- 1.25   0.000% *  0.3083% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 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 +/- 0.07  99.868% * 99.6455% (0.69  10.0   7.31  86.79) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.55 +/- 0.30   0.118% *  0.0403% (0.28   1.0   0.02   0.10) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.05 +/- 0.77   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.45 +/- 1.37   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.72 +/- 0.83   0.001% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.79 +/- 1.82   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.69 +/- 0.82   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  19.99 +/- 1.02   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.64 +/- 1.36   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.43 +/- 1.24   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 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   3.35 +/- 0.50  99.983% * 98.4025% (0.28   4.85  86.79) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  15.07 +/- 1.72   0.015% *  0.6539% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.76 +/- 1.42   0.002% *  0.9436% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.27 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   3.94 +/- 0.39  97.071% * 98.8135% (0.69   4.85  86.79) =  99.995%  kept
          HN    THR   39 - HG3   GLU-  36   7.46 +/- 1.17   2.865% *  0.1648% (0.28   0.02   0.10) =   0.005%
          HN    LYS+ 102 - HG3   GLU-  36  15.92 +/- 1.60   0.029% *  0.5143% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  19.02 +/- 2.57   0.013% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.59 +/- 1.15   0.004% *  0.1478% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  23.44 +/- 1.29   0.002% *  0.1830% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.76 +/- 2.21   0.013% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  27.21 +/- 2.53   0.001% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  28.96 +/- 1.96   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  30.35 +/- 2.09   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.83 +/- 0.03  99.990% * 99.6076% (0.28  10.0   6.06  86.79) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.82 +/- 1.42   0.009% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  20.24 +/- 0.90   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 3.71, residual support = 27.5:
      O   HN    SER   37 - HB2   SER   37   3.51 +/- 0.29  99.987% * 99.7690% (0.98  10.0   3.71  27.54) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.39 +/- 0.97   0.010% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.21 +/- 1.15   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  25.35 +/- 0.98   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.5, support = 0.02, residual support = 0.02:
          HN    GLN   30 - HB3   SER   37  10.97 +/- 0.54  38.195% * 12.9780% (0.47   0.02   0.02) =  45.945%  kept
          HN    GLU-  29 - HB3   SER   37  13.30 +/- 0.54  11.957% * 22.4691% (0.82   0.02   0.02) =  24.902%  kept
          HN    VAL   18 - QB    SER   13  11.64 +/- 0.77  28.015% *  4.8772% (0.18   0.02   0.02) =  12.665%  kept
          HN    VAL   18 - HB3   SER   37  12.88 +/- 1.24  15.668% *  6.3735% (0.23   0.02   0.02) =   9.256%  kept
          HN    GLN   30 - QB    SER   13  16.62 +/- 1.59   3.591% *  9.9312% (0.36   0.02   0.02) =   3.305%  kept
          HN    GLU-  29 - QB    SER   13  18.39 +/- 1.78   1.974% * 17.1942% (0.63   0.02   0.02) =   3.146%  kept
          HN    ASP-  86 - HB3   SER   37  23.01 +/- 1.10   0.466% * 14.8290% (0.54   0.02   0.02) =   0.640%  kept
          HN    ASP-  86 - QB    SER   13  28.21 +/- 1.26   0.134% * 11.3477% (0.41   0.02   0.02) =   0.141%
    Distance limit 3.80 A violated in 20 structures by 5.50 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.59, residual support = 221.9:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.01  96.484% * 99.8691% (0.92  10.0   6.59 221.86) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.02 +/- 0.01   2.692% *  0.0270% (0.25   1.0   0.02  18.42) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.69 +/- 1.03   0.688% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.34 +/- 1.09   0.123% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.82 +/- 0.34   0.007% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.86 +/- 1.27   0.005% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.48 +/- 0.67   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  31.56 +/- 0.78   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  21.84 +/- 0.84   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  30.34 +/- 0.82   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 6.32, residual support = 23.2:
      O   HN    THR   39 - HA    LYS+  38   3.06 +/- 0.04  88.543% * 99.6467% (0.92  10.0   6.32  23.16) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.41 +/- 0.06   2.902% *  0.1021% (0.95   1.0   0.02   0.63) =   0.003%
          HN    LYS+ 102 - HA    LYS+  38   8.63 +/- 1.32   0.274% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    GLU- 100   5.30 +/- 0.65   4.258% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   5.61 +/- 0.90   3.641% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.32 +/- 1.27   0.373% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  20.05 +/- 1.42   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.85 +/- 0.39   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  18.63 +/- 1.38   0.002% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.70 +/- 1.03   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.46, residual support = 18.4:
          HN    SER   37 - HB2   LYS+  38   4.60 +/- 0.06  99.977% * 99.0628% (1.00   4.46  18.42) = 100.000%  kept
          HN    CYS   21 - HB2   LYS+  38  20.20 +/- 0.56   0.014% *  0.1517% (0.34   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   LYS+  38  23.97 +/- 1.36   0.005% *  0.3562% (0.80   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   LYS+  38  25.77 +/- 1.46   0.003% *  0.4293% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 10 structures by 0.90 A, kept.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.463, support = 5.52, residual support = 22.4:
          HN    THR   39 - HB2   LYS+  38   4.28 +/- 0.18  89.973% * 73.9704% (0.45   5.68  23.16) =  96.528%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.33 +/- 0.26   9.496% * 25.1780% (0.87   1.00   0.63) =   3.468%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.63 +/- 1.24   0.527% *  0.5690% (0.98   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB2   LYS+  38  22.81 +/- 1.47   0.004% *  0.2826% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 6 structures by 0.89 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.785, support = 5.82, residual support = 214.2:
          HN    LYS+  38 - HG2   LYS+  38   3.30 +/- 0.30  90.163% * 72.3601% (0.80   5.86 221.86) =  96.214%  kept
          HN    SER   37 - HG2   LYS+  38   4.83 +/- 0.17   9.396% * 27.3198% (0.38   4.72  18.42) =   3.785%  kept
          HN    LYS+  38 - HG2   LYS+  99   9.04 +/- 1.03   0.324% *  0.0673% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.60 +/- 1.01   0.115% *  0.0315% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  24.80 +/- 1.67   0.001% *  0.0687% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.71 +/- 1.58   0.001% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  33.57 +/- 0.91   0.000% *  0.1052% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  28.42 +/- 0.82   0.000% *  0.0287% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.776, support = 5.6, residual support = 210.0:
          HN    LYS+  38 - HG3   LYS+  38   3.97 +/- 0.17  86.868% * 69.5862% (0.80   5.62 221.86) =  94.148%  kept
          HN    SER   37 - HG3   LYS+  38   5.51 +/- 0.21  12.447% * 30.1833% (0.38   5.20  18.42) =   5.851%  kept
          HN    LYS+  38 - HG3   LYS+  99   9.82 +/- 1.07   0.496% *  0.0258% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  11.46 +/- 1.03   0.183% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.39 +/- 1.58   0.001% *  0.0688% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.95 +/- 1.84   0.004% *  0.0072% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  34.07 +/- 1.28   0.000% *  0.1055% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  28.90 +/- 1.11   0.001% *  0.0110% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.74, residual support = 38.4:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.815% * 95.2507% (0.97  10.0   3.74  38.49) =  99.814%  kept
          HN    LYS+ 102 - HA    ILE  103   4.92 +/- 0.22   3.929% *  4.3255% (0.24   1.0   3.65  22.41) =   0.186%
          HN    GLU-  36 - HA    THR   39   8.47 +/- 0.14   0.147% *  0.0885% (0.90   1.0   0.02   0.10) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.06 +/- 1.24   0.067% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.74 +/- 1.49   0.017% *  0.0320% (0.32   1.0   0.02   0.54) =   0.000%
          HN    THR   39 - HA    ILE  103  12.74 +/- 0.50   0.013% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.31 +/- 0.84   0.005% *  0.0292% (0.30   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.60 +/- 1.25   0.001% *  0.0967% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.76 +/- 0.43   0.002% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.85 +/- 1.04   0.002% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.50 +/- 1.45   0.002% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.45 +/- 0.77   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 24.0:
      O   HN    LEU   40 - HA    THR   39   2.32 +/- 0.02  99.650% * 99.8247% (0.57  10.0   4.03  24.04) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.27 +/- 0.26   0.266% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   7.89 +/- 0.66   0.074% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.90 +/- 0.43   0.010% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 3.74, residual support = 38.5:
      O   HN    THR   39 - HB    THR   39   2.51 +/- 0.21  99.788% * 99.6727% (0.97  10.0   3.74  38.49) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   7.21 +/- 0.20   0.192% *  0.0926% (0.90   1.0   0.02   0.10) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.45 +/- 1.46   0.017% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.46 +/- 0.74   0.002% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.70 +/- 1.10   0.000% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.80 +/- 0.79   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 24.0:
          HN    LEU   40 - HB    THR   39   3.87 +/- 0.21  99.291% * 99.9090% (0.98   3.92  24.04) =  99.999%  kept
          HN    GLY  101 - HB    THR   39   9.08 +/- 0.88   0.709% *  0.0910% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.219, residual support = 0.219:
          HN    LEU   71 - QG2   THR   39   2.74 +/- 0.59  99.877% * 54.6673% (0.60   0.22   0.22) =  99.994%  kept
          HN    GLU- 114 - QB    ALA   91  12.08 +/- 2.26   0.046% *  3.3594% (0.40   0.02   0.02) =   0.003%
          HN    GLN  116 - QB    ALA   91  13.67 +/- 2.21   0.018% *  2.8627% (0.34   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  14.05 +/- 2.09   0.015% *  1.9403% (0.23   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ALA   91  12.39 +/- 1.10   0.024% *  1.1691% (0.14   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  16.54 +/- 1.01   0.004% *  4.1090% (0.49   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   39  15.95 +/- 0.73   0.005% *  2.4757% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - QG2   THR   23  16.87 +/- 0.50   0.004% *  2.7975% (0.33   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   39  19.16 +/- 0.98   0.001% *  6.0622% (0.72   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   39  20.62 +/- 0.95   0.001% *  7.1140% (0.85   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  18.06 +/- 0.92   0.002% *  1.3892% (0.17   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  20.63 +/- 1.03   0.001% *  2.3542% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  25.81 +/- 0.74   0.000% *  3.9920% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  25.12 +/- 0.88   0.000% *  3.4018% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  24.21 +/- 0.74   0.000% *  2.3057% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.07 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 = 3.84, residual support = 24.0:
          HN    LEU   40 - QG2   THR   39   2.54 +/- 0.54  99.998% * 99.4642% (0.66   3.84  24.04) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.52 +/- 0.53   0.001% *  0.2910% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  22.02 +/- 1.22   0.000% *  0.2449% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.601, support = 3.09, residual support = 13.5:
      O   HN    ALA   91 - QB    ALA   91   2.32 +/- 0.19  80.894% * 89.0458% (0.61  10.0   3.08  12.89) =  97.499%  kept
          HN    THR   39 - QG2   THR   39   3.34 +/- 0.62  18.358% * 10.0641% (0.38   1.0   3.63  38.49) =   2.501%  kept
          HN    TRP   27 - QG2   THR   23   5.63 +/- 0.43   0.549% *  0.0142% (0.10   1.0   0.02   1.57) =   0.000%
          HD1   TRP   87 - QB    ALA   91   8.62 +/- 0.89   0.055% *  0.1122% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.38 +/- 0.98   0.096% *  0.0260% (0.18   1.0   0.02   0.10) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.96 +/- 1.35   0.017% *  0.0366% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.92 +/- 1.07   0.018% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  13.79 +/- 0.92   0.002% *  0.0772% (0.53   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.62 +/- 0.98   0.002% *  0.0640% (0.44   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  18.10 +/- 0.52   0.000% *  0.1355% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  15.13 +/- 0.72   0.001% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  13.29 +/- 1.14   0.003% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  16.74 +/- 1.34   0.001% *  0.0530% (0.36   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  16.19 +/- 2.14   0.001% *  0.0173% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.66 +/- 0.93   0.000% *  0.1176% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.55 +/- 1.75   0.000% *  0.0327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.49 +/- 0.92   0.000% *  0.0420% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  16.65 +/- 1.02   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  17.52 +/- 0.99   0.001% *  0.0094% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  18.35 +/- 0.59   0.000% *  0.0124% (0.08   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.68 +/- 0.62   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.93 +/- 1.38   0.001% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.85 +/- 0.82   0.000% *  0.0551% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.99 +/- 1.40   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 8.97:
          HN    MET   92 - QB    ALA   91   3.06 +/- 0.22  99.511% * 96.4967% (0.87   3.04   8.97) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   9.23 +/- 0.62   0.160% *  0.7179% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QB    ALA   91  11.67 +/- 2.05   0.064% *  0.2498% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.14 +/- 0.58   0.050% *  0.3000% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.06 +/- 0.64   0.173% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  16.83 +/- 0.52   0.004% *  0.6353% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  12.58 +/- 0.73   0.024% *  0.0755% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.82 +/- 0.47   0.004% *  0.3390% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  17.13 +/- 1.63   0.004% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.69 +/- 0.61   0.001% *  0.3000% (0.41   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  19.01 +/- 0.94   0.002% *  0.0668% (0.09   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.90 +/- 0.89   0.001% *  0.1180% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  21.70 +/- 3.58   0.002% *  0.0405% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  34.95 +/- 2.36   0.000% *  0.3853% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  26.19 +/- 1.08   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.686, support = 5.03, residual support = 64.7:
          HA    LEU   40 - QD2   LEU   40   2.47 +/- 0.38  52.473% * 55.7886% (0.61   6.07 100.86) =  59.011%  kept
          HA    LYS+  99 - QD2   LEU   40   2.54 +/- 0.55  47.482% * 42.8241% (0.80   3.53  12.70) =  40.989%  kept
          HA    ASN   35 - QD2   LEU   40   9.01 +/- 0.45   0.025% *  0.2797% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.85 +/- 1.77   0.011% *  0.3003% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  11.49 +/- 0.83   0.007% *  0.1246% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  16.25 +/- 1.13   0.001% *  0.2866% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.41 +/- 1.04   0.001% *  0.1358% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.41 +/- 0.94   0.001% *  0.1358% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.87 +/- 0.81   0.001% *  0.1246% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.975, support = 4.35, residual support = 98.7:
          HA    LEU   40 - QD1   LEU   40   3.82 +/- 0.26  65.631% * 92.8561% (0.99   4.44 100.86) =  97.588%  kept
          HA    LYS+  99 - QD1   LEU   40   4.48 +/- 0.60  30.387% *  4.9262% (0.31   0.76  12.70) =   2.397%  kept
          HA    LEU  123 - QD1   LEU   40   9.18 +/- 2.01   2.762% *  0.2562% (0.61   0.02   0.02) =   0.011%
          HA    GLN   17 - QD1   LEU   40   8.96 +/- 1.30   0.687% *  0.1304% (0.31   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU   40  10.78 +/- 0.86   0.159% *  0.3788% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.43 +/- 0.39   0.168% *  0.1894% (0.45   0.02   0.02) =   0.001%
          HA    SER   37 - QD1   LEU   40  10.84 +/- 0.26   0.131% *  0.1304% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  14.66 +/- 1.16   0.025% *  0.3899% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  16.10 +/- 1.18   0.014% *  0.3788% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  15.79 +/- 1.33   0.016% *  0.2056% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.14 +/- 0.78   0.019% *  0.1585% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.674, support = 0.37, residual support = 0.346:
        T HB3   HIS  122 - QD1   LEU   40   6.54 +/- 1.90  50.940% * 95.0271% (0.69 10.00   0.37   0.36) =  96.227%  kept
          QE    LYS+ 121 - QD1   LEU   40   6.94 +/- 2.09  46.651% *  4.0612% (0.34  1.00   0.32   0.02) =   3.766%  kept
          QE    LYS+  74 - QD1   LEU   40  11.00 +/- 1.20   2.251% *  0.1302% (0.18  1.00   0.02   0.02) =   0.006%
          HB3   ASP-  78 - QD1   LEU   40  19.56 +/- 0.81   0.067% *  0.6668% (0.90  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - QD1   LEU   40  18.14 +/- 1.09   0.091% *  0.1147% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 11 structures by 1.41 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 = 0.906, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   LEU   40  10.11 +/- 1.13  56.330% * 23.0961% (0.84   0.02   0.02) =  52.362%  kept
          HE21  GLN   30 - QD1   LEU   40  11.08 +/- 2.19  38.088% * 27.6510% (1.00   0.02   0.02) =  42.387%  kept
          HD1   TRP   27 - QD1   LEU   40  15.05 +/- 1.04   5.089% * 23.0961% (0.84   0.02   0.02) =   4.731%  kept
          HH2   TRP   49 - QD1   LEU   40  22.90 +/- 1.45   0.494% * 26.1568% (0.95   0.02   0.02) =   0.520%  kept
    Distance limit 3.74 A violated in 20 structures by 5.28 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40  10.53 +/- 1.84  48.226% * 27.6510% (1.00   0.02   0.02) =  52.684%  kept
          QD    PHE   59 - QD2   LEU   40  10.68 +/- 0.99  42.073% * 23.0961% (0.84   0.02   0.02) =  38.390%  kept
          HD1   TRP   27 - QD2   LEU   40  13.73 +/- 1.02   9.098% * 23.0961% (0.84   0.02   0.02) =   8.302%  kept
          HH2   TRP   49 - QD2   LEU   40  22.49 +/- 1.26   0.604% * 26.1568% (0.95   0.02   0.02) =   0.624%  kept
    Distance limit 3.56 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.61, residual support = 19.7:
          HN    VAL   41 - QD2   LEU   40   2.42 +/- 0.51 100.000% *100.0000% (0.73   4.61  19.69) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.32, residual support = 8.87:
          HN    LEU   98 - QD2   LEU   40   3.12 +/- 0.46 100.000% *100.0000% (0.97   4.32   8.87) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 100.9:
      O   HN    LEU   40 - HB3   LEU   40   2.55 +/- 0.34  99.483% * 99.9683% (0.98  10.0   4.89 100.86) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.12 +/- 1.00   0.516% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  20.23 +/- 1.16   0.000% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  21.13 +/- 1.09   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 4.74, residual support = 100.9:
      O   HN    LEU   40 - HB2   LEU   40   2.41 +/- 0.30  99.963% * 99.9908% (0.76  10.0   4.74 100.86) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.67 +/- 1.30   0.037% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 36.6:
          QG2   VAL   70 - HB2   LEU   40   3.85 +/- 0.31  73.750% * 99.9538% (0.80   3.99  36.60) =  99.984%  kept
          QG2   VAL   70 - HB2   LEU   67   4.81 +/- 0.94  26.250% *  0.0462% (0.07   0.02   0.02) =   0.016%
    Distance limit 3.51 A violated in 1 structures by 0.35 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 36.6:
        T QG2   VAL   70 - HB3   LEU   40   2.66 +/- 0.52  99.982% * 99.8828% (0.98 10.00   3.99  36.60) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.70 +/- 1.15   0.018% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.238, support = 4.89, residual support = 93.6:
      O T HA    LEU   40 - HG    LEU   40   2.93 +/- 0.42  63.799% * 67.5812% (0.18  10.0 10.00   5.27 100.86) =  91.801%  kept
          HA    LYS+  99 - HG    LEU   40   3.66 +/- 1.02  27.978% * 12.7760% (0.98   1.0  1.00   0.68  12.70) =   7.611%  kept
          HA    ASP- 113 - HG    LEU  115   6.23 +/- 1.05   2.274% * 11.6538% (0.53   1.0  1.00   1.13   0.02) =   0.564%  kept
          HA    ILE   56 - HG    LEU  115   5.76 +/- 1.14   4.664% *  0.1938% (0.50   1.0  1.00   0.02   0.56) =   0.019%
        T HA    ASN   35 - HG    LEU   40  10.76 +/- 0.43   0.039% *  3.4608% (0.90   1.0 10.00   0.02   0.02) =   0.003%
          HA    PHE   59 - HG    LEU  115   6.52 +/- 1.45   1.112% *  0.0762% (0.20   1.0  1.00   0.02  28.07) =   0.002%
          HA    LEU  123 - HG    LEU   40  12.84 +/- 2.40   0.057% *  0.2949% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.10 +/- 1.09   0.013% *  0.1707% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  13.05 +/- 1.31   0.014% *  0.0645% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  13.57 +/- 1.17   0.012% *  0.0705% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  15.50 +/- 1.22   0.006% *  0.1316% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  19.92 +/- 1.46   0.001% *  0.3347% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  19.98 +/- 1.16   0.001% *  0.3913% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.39 +/- 1.41   0.001% *  0.3562% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73  12.08 +/- 1.11   0.026% *  0.0126% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  27.15 +/- 1.11   0.000% *  2.0037% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.98 +/- 1.14   0.001% *  0.2190% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  20.10 +/- 1.37   0.001% *  0.0624% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  17.05 +/- 0.77   0.003% *  0.0245% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  21.24 +/- 1.47   0.001% *  0.0550% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  25.82 +/- 0.86   0.000% *  0.0664% (0.17   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 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.34, residual support = 36.6:
        T QG2   VAL   70 - HG    LEU   40   2.78 +/- 0.90  99.549% * 99.2404% (0.98 10.00   6.34  36.60) =  99.999%  kept
        T QG2   VAL   70 - HG    LEU   73   8.41 +/- 1.14   0.426% *  0.1850% (0.18 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HG    LEU  115  13.47 +/- 1.18   0.025% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 36.6:
          QG2   VAL   70 - QD1   LEU   40   2.26 +/- 0.68 100.000% *100.0000% (0.80   3.47  36.60) = 100.000%  kept
    Distance limit 2.87 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.49, residual support = 36.6:
          QG2   VAL   70 - QD2   LEU   40   2.62 +/- 0.80 100.000% *100.0000% (0.53   4.49  36.60) = 100.000%  kept
    Distance limit 3.18 A violated in 0 structures by 0.10 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  10.70 +/- 0.82 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.57 A violated in 20 structures by 8.13 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.703, support = 4.44, residual support = 100.9:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.01  82.303% * 41.4375% (0.65  10.0 10.00   4.11 100.86) =  77.548%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.86 +/- 0.35  17.188% * 57.4464% (0.90  10.0  1.00   5.60 100.86) =  22.451%  kept
          HG    LEU   67 - QD2   LEU   40   7.82 +/- 2.18   0.459% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - QD2   LEU   40  10.60 +/- 1.22   0.007% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  14.25 +/- 1.02   0.001% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.49 +/- 1.15   0.031% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.28 +/- 0.97   0.008% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  13.05 +/- 0.87   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  13.46 +/- 1.05   0.001% *  0.0414% (0.65   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 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.236, support = 2.11, residual support = 12.7:
        T HB3   LYS+  99 - QD2   LEU   40   2.67 +/- 0.75  80.142% * 44.0346% (0.22 10.00   1.98  12.70) =  76.252%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.59 +/- 0.62  19.741% * 55.6761% (0.28 10.00   2.55  12.70) =  23.748%  kept
          HB    VAL   43 - QD2   LEU   40   8.72 +/- 0.72   0.105% *  0.0752% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  15.00 +/- 1.12   0.003% *  0.1215% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  12.82 +/- 0.75   0.009% *  0.0309% (0.15  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  18.78 +/- 0.73   0.001% *  0.0618% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.292, support = 0.02, residual support = 0.292:
          HB2   HIS  122 - QD2   LEU   40   7.46 +/- 1.91  71.758% * 19.5836% (0.31   0.02   0.36) =  80.273%  kept
          HA    LEU   63 - QD2   LEU   40   9.18 +/- 0.97  26.927% * 11.1120% (0.18   0.02   0.02) =  17.092%  kept
          HA    LYS+ 112 - QD2   LEU   40  16.36 +/- 0.95   0.880% * 35.9222% (0.57   0.02   0.02) =   1.807%  kept
          HB2   HIS   22 - QD2   LEU   40  18.57 +/- 1.04   0.434% * 33.3822% (0.53   0.02   0.02) =   0.828%  kept
    Distance limit 3.52 A violated in 19 structures by 3.40 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.65, residual support = 12.7:
          QE    LYS+  99 - QD2   LEU   40   3.22 +/- 0.84  99.060% * 98.4905% (0.69   3.65  12.70) =  99.993%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.69 +/- 0.52   0.503% *  0.7849% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  38 - QD2   LEU   40   8.93 +/- 0.95   0.437% *  0.7246% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.839, support = 0.755, residual support = 0.718:
        T HB3   PHE   97 - QD2   LEU   40   4.15 +/- 1.05  86.990% * 86.0825% (0.84 10.00   0.75   0.73) =  97.794%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.57 +/- 0.79  12.716% * 13.2828% (0.99  1.00   0.98   0.02) =   2.206%  kept
          QG    GLN   32 - QD2   LEU   40  12.23 +/- 0.49   0.173% *  0.0937% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.31 +/- 1.01   0.045% *  0.2600% (0.95  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.13 +/- 0.77   0.036% *  0.1778% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.02 +/- 1.10   0.039% *  0.1031% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 100.9:
      O T HB2   LEU   40 - QD1   LEU   40   2.60 +/- 0.32  97.710% * 99.2435% (0.84  10.0 10.00   4.44 100.86) =  99.989%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.10 +/- 1.21   2.138% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.011%
          HB    VAL   18 - QD1   LEU   40   9.76 +/- 1.20   0.085% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QD1   LEU   40   9.76 +/- 0.66   0.063% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.50 +/- 1.03   0.005% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  21.30 +/- 1.12   0.000% *  0.1097% (0.92   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 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 100.8:
      O   HB2   LEU   40 - QD2   LEU   40   2.65 +/- 0.49  98.474% * 96.6350% (0.34  10.0  1.00   5.44 100.86) =  99.961%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.44 +/- 1.49   1.437% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.038%
          HB    VAL   18 - QD2   LEU   40  10.38 +/- 1.22   0.079% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  14.23 +/- 1.04   0.007% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.54 +/- 1.00   0.002% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  21.57 +/- 0.88   0.001% *  0.2541% (0.90   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 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.774, support = 3.92, residual support = 100.9:
      O T HB3   LEU   40 - QD1   LEU   40   2.24 +/- 0.21  42.578% * 57.4671% (0.90  10.0 10.00   3.54 100.86) =  50.825%  kept
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.01  57.109% * 41.4524% (0.65  10.0  1.00   4.30 100.86) =  49.172%  kept
        T HG    LEU   67 - QD1   LEU   40   6.50 +/- 1.49   0.289% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.003%
          QB    ALA  120 - QD1   LEU   40   9.40 +/- 1.15   0.010% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  13.17 +/- 1.14   0.001% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.33 +/- 1.36   0.007% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  13.79 +/- 1.11   0.001% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40  11.23 +/- 1.23   0.003% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  13.00 +/- 1.02   0.001% *  0.0178% (0.28   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 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.961, support = 4.43, residual support = 99.1:
      O T QD1   LEU   40 - HB2   LEU   40   2.60 +/- 0.32  63.998% * 92.1745% (1.00  10.0 10.00   4.44 100.86) =  95.701%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.93 +/- 0.35  34.758% *  7.6201% (0.08  10.0  1.00   4.26  58.76) =   4.297%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.10 +/- 1.21   1.065% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB2   LEU   40   7.72 +/- 1.60   0.178% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  17.73 +/- 0.99   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  16.49 +/- 1.61   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.54, residual support = 100.9:
      O T QD1   LEU   40 - HB3   LEU   40   2.24 +/- 0.21  99.477% * 99.7412% (1.00  10.0 10.00   3.54 100.86) = 100.000%  kept
          QD2   LEU   67 - HB3   LEU   40   6.65 +/- 1.45   0.462% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  13.17 +/- 1.14   0.003% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.88 +/- 1.11   0.052% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  12.96 +/- 2.32   0.006% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.44 +/- 0.97   0.001% *  0.0374% (0.38   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 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.11, residual support = 100.9:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.01  75.719% * 96.1741% (0.87  10.0 10.00   4.11 100.86) =  99.994%  kept
          QD1   ILE  119 - HG    LEU  115   3.57 +/- 1.30  23.736% *  0.0112% (0.10   1.0  1.00   0.02   6.54) =   0.004%
        T QD1   LEU   67 - HG    LEU   40   7.39 +/- 1.89   0.141% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   67 - HG    LEU   73   9.01 +/- 2.16   0.026% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.17 +/- 1.12   0.085% *  0.0179% (0.16   1.0  1.00   0.02   2.18) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  12.83 +/- 2.52   0.003% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73  10.60 +/- 1.22   0.008% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.85 +/- 0.51   0.014% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   6.82 +/- 1.75   0.199% *  0.0036% (0.03   1.0  1.00   0.02   0.36) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.03 +/- 0.85   0.029% *  0.0194% (0.18   1.0  1.00   0.02   1.80) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  14.25 +/- 1.02   0.001% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   8.27 +/- 1.14   0.032% *  0.0125% (0.11   1.0  1.00   0.02  40.10) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.15 +/- 1.06   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  13.09 +/- 1.25   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  17.62 +/- 2.08   0.000% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.86 +/- 0.90   0.001% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.79 +/- 1.41   0.002% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  15.18 +/- 1.25   0.001% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  13.87 +/- 0.86   0.001% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  15.79 +/- 1.22   0.001% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  18.40 +/- 1.44   0.000% *  0.0112% (0.10   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 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.866, support = 3.95, residual support = 73.8:
      O T QG2   VAL   41 - QG1   VAL   41   2.04 +/- 0.05  89.191% * 92.9136% (0.87  10.0 10.00   3.96  74.04) =  99.446%  kept
          QD2   LEU   98 - QG1   VAL   41   3.55 +/- 0.82   9.800% *  4.6846% (0.69   1.0  1.00   1.27  24.34) =   0.551%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.83 +/- 0.78   0.249% *  0.3306% (0.31   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   18   7.06 +/- 0.99   0.190% *  0.2527% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   41 - QG2   VAL   18   7.31 +/- 0.94   0.054% *  0.7101% (0.66   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   6.34 +/- 0.78   0.136% *  0.2527% (0.24   1.0 10.00   0.02   0.35) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   6.91 +/- 0.98   0.100% *  0.0734% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.65 +/- 0.97   0.142% *  0.0395% (0.04   1.0 10.00   0.02   9.31) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.25 +/- 0.91   0.013% *  0.3306% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   8.38 +/- 0.82   0.022% *  0.0961% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   8.05 +/- 1.04   0.040% *  0.0499% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18   8.95 +/- 1.34   0.021% *  0.0562% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18   9.53 +/- 0.64   0.009% *  0.0562% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  10.72 +/- 1.19   0.006% *  0.0736% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.88 +/- 0.97   0.009% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.91 +/- 1.03   0.018% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  12.68 +/- 1.19   0.002% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.24 +/- 1.36   0.000% *  0.0395% (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 = 1.4, residual support = 9.22:
          QB    ALA   34 - QG2   VAL   41   2.98 +/- 0.43  99.299% * 83.2094% (0.18   1.40   9.22) =  99.981%  kept
          QG2   THR   77 - QG2   VAL   41  10.50 +/- 0.95   0.085% *  6.4129% (0.95   0.02   0.02) =   0.007%
          HG2   LYS+  99 - QG2   VAL   41   7.84 +/- 0.81   0.405% *  1.3416% (0.20   0.02   0.02) =   0.007%
          HG2   LYS+  38 - QG2   VAL   41   9.04 +/- 0.84   0.153% *  1.8849% (0.28   0.02   0.02) =   0.003%
          QG2   THR   23 - QG2   VAL   41  11.79 +/- 0.51   0.034% *  3.0394% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  12.75 +/- 0.99   0.023% *  4.1118% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.5, residual support = 24.3:
        T QB    LEU   98 - QG2   VAL   41   3.82 +/- 0.92  71.228% * 95.8151% (0.34 10.00   2.50  24.34) =  99.924%  kept
          HG12  ILE   19 - QG2   VAL   41   7.23 +/- 1.67  10.227% *  0.2803% (1.00  1.00   0.02   0.02) =   0.042%
          HG    LEU   73 - QG2   VAL   41   5.59 +/- 1.12  15.083% *  0.0867% (0.31  1.00   0.02   0.02) =   0.019%
        T HB2   LEU   80 - QG2   VAL   41  10.90 +/- 1.02   0.190% *  2.2492% (0.80 10.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QG2   VAL   41   8.01 +/- 1.06   1.748% *  0.1929% (0.69  1.00   0.02   0.02) =   0.005%
          HB3   LYS+  74 - QG2   VAL   41   9.55 +/- 0.89   0.497% *  0.1704% (0.61  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QG2   VAL   41  10.65 +/- 1.34   0.253% *  0.2711% (0.97  1.00   0.02   0.02) =   0.001%
          QB    ALA   61 - QG2   VAL   41  10.82 +/- 0.89   0.243% *  0.2346% (0.84  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   41  12.92 +/- 2.03   0.096% *  0.1817% (0.65  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.90 +/- 1.15   0.266% *  0.0625% (0.22  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  12.18 +/- 0.82   0.104% *  0.1367% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.27 +/- 0.78   0.024% *  0.2753% (0.98  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.43 +/- 1.34   0.042% *  0.0433% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 9 structures by 0.83 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.50 +/- 0.71 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.97 A violated in 20 structures by 8.53 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.38, residual support = 74.0:
      O   HN    VAL   41 - HB    VAL   41   2.82 +/- 0.44 100.000% *100.0000% (0.47  10.0   4.38  74.04) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.973, support = 2.69, residual support = 24.2:
          HN    LEU   98 - QG1   VAL   41   5.08 +/- 0.66  64.788% * 98.0134% (0.98   2.70  24.34) =  99.221%  kept
          HN    LEU   98 - QD2   LEU  104   5.86 +/- 0.94  34.528% *  1.4327% (0.05   0.74   9.31) =   0.773%  kept
          HN    LEU   98 - QG2   VAL   18  10.96 +/- 0.74   0.684% *  0.5539% (0.75   0.02   0.02) =   0.006%
    Distance limit 3.70 A violated in 12 structures by 0.90 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.581, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.40 +/- 0.87  47.100% * 34.1212% (0.66   0.02   0.02) =  60.270%  kept
          HN    LYS+  66 - HB    VAL   41  14.25 +/- 0.77  20.936% * 29.5320% (0.57   0.02   0.02) =  23.187%  kept
          QE    PHE   59 - HB    VAL   41  13.87 +/- 1.63  27.412% * 12.0603% (0.23   0.02   0.02) =  12.398%  kept
          HN    LYS+  81 - HB    VAL   41  18.46 +/- 1.03   4.551% * 24.2865% (0.47   0.02   0.02) =   4.145%  kept
    Distance limit 3.64 A violated in 20 structures by 7.21 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.21, residual support = 25.0:
      O   HN    VAL   42 - HA    VAL   41   2.20 +/- 0.02  99.610% * 99.8070% (0.98  10.0   5.21  25.02) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   5.89 +/- 0.49   0.324% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   7.75 +/- 0.72   0.064% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.62 +/- 0.51   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.14, residual support = 40.4:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.03 100.000% * 99.9765% (0.90  10.0   5.14  40.43) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  19.58 +/- 0.95   0.000% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.363, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   3.42 +/- 0.75  98.216% * 16.0745% (0.34   0.02   0.02) =  95.668%  kept
          QG2   VAL   83 - QG2   VAL   41   7.81 +/- 1.12   1.293% * 37.7342% (0.80   0.02   0.02) =   2.956%  kept
          QD1   ILE   89 - QG2   VAL   41   9.08 +/- 0.93   0.492% * 46.1912% (0.98   0.02   0.02) =   1.376%  kept
    Distance limit 2.95 A violated in 6 structures by 0.55 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 = 0.818, support = 0.0198, residual support = 23.3:
        T HB    VAL   41 - HB    VAL   42   6.24 +/- 0.35  52.972% * 26.8420% (0.84 10.00   0.02  25.02) =  92.891%  kept
          QB    LYS+  66 - HB    VAL   42   8.49 +/- 0.76   9.942% *  2.7752% (0.87  1.00   0.02   0.02) =   1.803%  kept
        T QB    LYS+ 102 - HB    VAL   42  11.76 +/- 0.93   1.275% * 17.9927% (0.56 10.00   0.02   0.02) =   1.499%  kept
          HB2   LEU   71 - HB    VAL   42   8.12 +/- 0.65  12.114% *  1.3538% (0.42  1.00   0.02   2.24) =   1.071%  kept
          HG2   PRO   93 - HB2   LYS+ 112   8.91 +/- 1.24   8.978% *  1.7026% (0.53  1.00   0.02   0.02) =   0.999%  kept
          HG12  ILE  103 - HB    VAL   42   9.29 +/- 0.84   5.466% *  2.4126% (0.75  1.00   0.02   0.02) =   0.862%  kept
          QB    LYS+  65 - HB    VAL   42   9.87 +/- 0.64   3.630% *  1.4633% (0.46  1.00   0.02   0.02) =   0.347%
          HB3   PRO   52 - HB2   LYS+ 112  11.45 +/- 2.06   3.722% *  1.1905% (0.37  1.00   0.02   0.02) =   0.290%
          HG    LEU  123 - HB    VAL   42  13.84 +/- 1.61   0.718% *  1.6870% (0.53  1.00   0.02   0.02) =   0.079%
          HG2   PRO   93 - HB    VAL   42  15.24 +/- 0.72   0.260% *  2.4126% (0.75  1.00   0.02   0.02) =   0.041%
          QB    LYS+  66 - HB2   LYS+ 112  15.17 +/- 1.47   0.282% *  1.9585% (0.61  1.00   0.02   0.02) =   0.036%
          HG    LEU  123 - HB2   LYS+ 112  14.61 +/- 1.17   0.378% *  1.1905% (0.37  1.00   0.02   0.02) =   0.029%
        T HB    VAL   41 - HB2   LYS+ 112  24.40 +/- 1.00   0.015% * 18.9430% (0.59 10.00   0.02   0.02) =   0.018%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.16 +/- 0.95   0.020% * 12.6979% (0.40 10.00   0.02   0.02) =   0.017%
          QB    LYS+  65 - HB2   LYS+ 112  16.85 +/- 1.18   0.142% *  1.0327% (0.32  1.00   0.02   0.02) =   0.010%
          HB3   PRO   52 - HB    VAL   42  20.46 +/- 1.29   0.046% *  1.6870% (0.53  1.00   0.02   0.02) =   0.005%
          HG12  ILE  103 - HB2   LYS+ 112  21.62 +/- 1.19   0.031% *  1.7026% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   LEU   71 - HB2   LYS+ 112  26.68 +/- 1.05   0.009% *  0.9554% (0.30  1.00   0.02   0.02) =   0.001%
    Distance limit 3.24 A violated in 20 structures by 2.43 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.46, residual support = 89.4:
          HN    VAL   42 - QG2   VAL   42   3.01 +/- 0.52  98.452% * 99.1939% (0.64   5.46  89.39) =  99.995%  kept
          HN    LEU   73 - QG2   VAL   42   7.24 +/- 1.09   0.751% *  0.3633% (0.64   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   VAL   42   7.97 +/- 0.95   0.592% *  0.3633% (0.64   0.02   0.02) =   0.002%
          HN    ILE   19 - QG2   VAL   42   8.70 +/- 0.92   0.205% *  0.0795% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.15, residual support = 40.4:
          HN    VAL   43 - QG2   VAL   42   3.99 +/- 0.17 100.000% *100.0000% (0.72   5.15  40.43) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.962, support = 3.99, residual support = 89.0:
      O T HA    VAL   42 - QG1   VAL   42   2.56 +/- 0.17  89.909% * 91.4947% (0.97  10.0 10.00   4.00  89.39) =  99.473%  kept
          HA    THR   46 - QB    ALA   47   3.87 +/- 0.11   7.975% *  5.4527% (0.44   1.0  1.00   2.62  12.67) =   0.526%  kept
          HA    GLN   90 - QB    ALA   47   6.61 +/- 2.33   1.817% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.95 +/- 1.10   0.076% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47   8.82 +/- 0.67   0.062% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.05 +/- 1.96   0.102% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.59 +/- 0.24   0.003% *  0.7901% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.76 +/- 0.81   0.036% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  14.92 +/- 1.00   0.003% *  0.5180% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  18.23 +/- 1.21   0.001% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.56 +/- 1.41   0.009% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.09 +/- 0.66   0.003% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.66 +/- 1.20   0.005% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.97 +/- 0.49   0.000% *  0.0479% (0.51   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 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.778, support = 0.02, residual support = 0.0815:
          QD    PHE   60 - QG1   VAL   42   5.86 +/- 1.10  33.299% * 18.3095% (0.93   0.02   0.15) =  45.990%  kept
          QD    PHE   60 - QB    ALA   47   6.52 +/- 1.01  21.008% * 15.8117% (0.80   0.02   0.02) =  25.057%  kept
          QE    PHE   59 - QG1   VAL   42   6.25 +/- 1.32  29.214% *  6.4716% (0.33   0.02   0.02) =  14.261%  kept
          HN    LYS+  66 - QG1   VAL   42   7.25 +/- 0.83   9.177% * 15.8469% (0.81   0.02   0.02) =  10.970%  kept
          QE    PHE   59 - QB    ALA   47   9.71 +/- 2.15   5.876% *  5.5887% (0.28   0.02   0.02) =   2.477%  kept
          HN    LYS+  81 - QB    ALA   47  10.40 +/- 0.97   1.206% * 11.2543% (0.57   0.02   0.02) =   1.024%  kept
          HN    LYS+  66 - QB    ALA   47  14.84 +/- 0.73   0.114% * 13.6851% (0.70   0.02   0.02) =   0.118%
          HN    LYS+  81 - QG1   VAL   42  14.91 +/- 0.65   0.106% * 13.0321% (0.66   0.02   0.02) =   0.104%
    Distance limit 2.98 A violated in 19 structures by 1.65 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.47, residual support = 89.4:
          HN    VAL   42 - QG1   VAL   42   3.60 +/- 0.19  94.607% * 98.2051% (0.77   5.47  89.39) =  99.981%  kept
          HN    LEU   73 - QG1   VAL   42   6.88 +/- 0.80   3.227% *  0.3591% (0.77   0.02   0.02) =   0.012%
          HN    LYS+ 106 - QG1   VAL   42   7.72 +/- 0.70   1.378% *  0.3591% (0.77   0.02   0.02) =   0.005%
          HN    ILE   19 - QG1   VAL   42   8.33 +/- 0.77   0.719% *  0.0785% (0.17   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QB    ALA   47  14.88 +/- 0.68   0.020% *  0.3101% (0.67   0.02   0.02) =   0.000%
          HN    LEU   73 - QB    ALA   47  14.97 +/- 0.73   0.020% *  0.3101% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.57 +/- 0.31   0.015% *  0.3101% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  16.01 +/- 0.80   0.014% *  0.0678% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.15, residual support = 40.4:
          HN    VAL   43 - QG1   VAL   42   3.11 +/- 0.37  99.959% * 99.3968% (0.40   5.15  40.43) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.23 +/- 0.26   0.021% *  0.3333% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  14.98 +/- 0.69   0.009% *  0.1448% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  15.06 +/- 0.92   0.010% *  0.1251% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   6.87 +/- 0.74  99.578% * 53.6601% (0.43   0.02   0.02) =  99.636%  kept
          HN    LEU  104 - QB    ALA   47  17.58 +/- 0.54   0.422% * 46.3399% (0.37   0.02   0.02) =   0.364%
    Distance limit 3.72 A violated in 20 structures by 3.14 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.76, residual support = 14.9:
          HN    TRP   49 - QB    ALA   47   2.88 +/- 0.28  99.417% * 95.0907% (0.29   3.76  14.90) =  99.994%  kept
          HD22  ASN   69 - QG1   VAL   42   8.40 +/- 1.76   0.500% *  1.0491% (0.61   0.02   0.02) =   0.006%
          HE22  GLN   30 - QG1   VAL   42  10.01 +/- 1.24   0.075% *  0.9120% (0.53   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  17.68 +/- 1.05   0.003% *  1.1908% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  16.05 +/- 0.79   0.004% *  0.3877% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  21.16 +/- 1.63   0.001% *  1.3697% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.392, support = 2.35, residual support = 10.8:
      O   HN    ALA   47 - QB    ALA   47   2.36 +/- 0.15  87.562% * 93.4110% (0.39  10.0   2.36  10.94) =  99.055%  kept
          QD    PHE   95 - QG1   VAL   42   4.06 +/- 1.08  12.385% *  6.2982% (0.70   1.0   0.75   1.42) =   0.945%  kept
          QD    PHE   95 - QB    ALA   47   8.73 +/- 0.92   0.047% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.88 +/- 0.81   0.006% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.591, support = 2.77, residual support = 22.1:
          HB    VAL   42 - QG1   VAL   43   5.29 +/- 0.27   8.582% * 62.2397% (0.62  1.00   4.63  40.43) =  52.413%  kept
          HG    LEU   98 - QG1   VAL   43   3.76 +/- 0.58  73.671% *  5.4295% (0.58  1.00   0.43   0.43) =  39.250%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.83 +/- 0.27   1.805% * 26.7094% (0.34  1.00   3.64  15.19) =   4.731%  kept
        T HB3   LEU   73 - QG1   VAL   43   6.74 +/- 1.56  11.935% *  2.9903% (0.69 10.00   0.02   1.30) =   3.502%  kept
          HG3   LYS+ 106 - QG1   VAL   43   7.74 +/- 1.00   1.602% *  0.3701% (0.85  1.00   0.02   0.02) =   0.058%
          QB    ALA   84 - QG1   VAL   43   8.08 +/- 0.71   0.769% *  0.2990% (0.69  1.00   0.02   0.02) =   0.023%
          HB3   LEU   80 - QG1   VAL   43   8.48 +/- 1.10   0.697% *  0.0774% (0.18  1.00   0.02   0.02) =   0.005%
          HB2   LEU   63 - QG1   VAL   43   8.85 +/- 0.91   0.458% *  0.1088% (0.25  1.00   0.02   0.02) =   0.005%
          HG3   LYS+ 102 - QG1   VAL   43  10.64 +/- 1.02   0.154% *  0.3133% (0.72  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QG1   VAL   43  10.49 +/- 0.81   0.152% *  0.2373% (0.54  1.00   0.02   0.02) =   0.004%
          HB3   PRO   93 - QG1   VAL   43  11.31 +/- 0.71   0.092% *  0.3133% (0.72  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QG1   VAL   43  12.51 +/- 0.70   0.049% *  0.2688% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.16 +/- 1.14   0.016% *  0.2059% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.65 +/- 0.98   0.007% *  0.3394% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.81 +/- 1.43   0.010% *  0.0976% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 0.461, residual support = 1.27:
        T HH2   TRP   27 - QG1   VAL   43   2.92 +/- 0.58  77.202% * 36.2278% (0.31 10.00   0.31   1.27) =  65.797%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.82 +/- 0.61  22.798% * 63.7722% (0.22 10.00   0.75   1.27) =  34.203%  kept
    Distance limit 2.92 A violated in 0 structures by 0.05 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.19, residual support = 60.4:
          HN    VAL   43 - QG1   VAL   43   1.92 +/- 0.26 100.000% *100.0000% (0.80   5.19  60.42) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.376, support = 3.58, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   3.44 +/- 0.39  74.891% * 80.4992% (0.39   3.71  15.19) =  93.548%  kept
          HN    ASN   28 - QD2   LEU   31   4.42 +/- 0.76  23.308% * 17.8120% (0.18   1.75  18.55) =   6.442%  kept
          HN    ASN   28 - QG2   VAL   43   8.07 +/- 1.26   0.648% *  0.7081% (0.63   0.02   0.02) =   0.007%
          HN    ASP-  44 - QD2   LEU   31   8.18 +/- 0.63   0.525% *  0.1246% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.28 +/- 0.78   0.436% *  0.1158% (0.10   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43  10.51 +/- 1.13   0.110% *  0.4036% (0.36   0.02   0.02) =   0.001%
          HN    ASN   69 - QG2   VAL   43  11.87 +/- 0.68   0.052% *  0.2617% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.31 +/- 1.05   0.030% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.25, residual support = 60.4:
      O   HN    VAL   43 - HB    VAL   43   3.24 +/- 0.32 100.000% *100.0000% (0.87  10.0   4.25  60.42) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.04 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   4.00 +/- 0.55 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.69 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 18.9:
        T QD    PHE   45 - HB3   ASP-  44   4.53 +/- 0.11 100.000% *100.0000% (0.80 10.00   4.41  18.87) = 100.000%  kept
    Distance limit 3.78 A violated in 2 structures by 0.75 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.7, residual support = 37.7:
      O   HN    ASP-  44 - HB3   ASP-  44   3.53 +/- 0.28  99.979% * 99.8560% (0.98  10.0   3.70  37.71) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  17.55 +/- 0.75   0.007% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  15.73 +/- 0.64   0.014% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.918, support = 0.02, residual support = 0.02:
          HA    LYS+  74 - HB2   ASP-  44   5.25 +/- 0.46  99.465% * 10.3367% (0.92  1.00   0.02   0.02) =  95.540%  kept
        T HA    MET   92 - HB2   ASP-  44  13.04 +/- 0.66   0.535% * 89.6633% (0.80 10.00   0.02   0.02) =   4.460%  kept
    Distance limit 3.91 A violated in 15 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.02, residual support = 37.7:
      O   HN    ASP-  44 - HB2   ASP-  44   2.72 +/- 0.35  99.994% * 99.8560% (0.98  10.0   3.02  37.71) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.05 +/- 0.58   0.002% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  14.99 +/- 0.58   0.004% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 3.9, residual support = 28.6:
      O   HN    ASP-  44 - HA    ASP-  44   2.90 +/- 0.01  18.910% * 81.9551% (0.80  10.0   3.76  37.71) =  51.605%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.02  81.085% * 17.9245% (0.18  10.0   4.04  18.87) =  48.395%  kept
          HN    ALA  110 - HA    ASP-  44  12.13 +/- 1.20   0.004% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  16.89 +/- 0.59   0.000% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 4.5:
          HA    PHE   95 - HA    ASP-  44   2.89 +/- 0.42 100.000% *100.0000% (0.87   2.00   4.50) = 100.000%  kept
    Distance limit 3.57 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 = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.75 +/- 0.62  99.475% * 98.9931% (0.65 10.00   2.96  27.13) = 100.000%  kept
          QB    SER   48 - HB2   PHE   45   9.60 +/- 0.97   0.268% *  0.1169% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  11.06 +/- 0.78   0.056% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.47 +/- 1.16   0.088% *  0.0522% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  10.68 +/- 1.00   0.079% *  0.0268% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.95 +/- 0.79   0.013% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  15.18 +/- 1.01   0.006% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  14.44 +/- 0.90   0.008% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  18.24 +/- 1.13   0.002% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  17.99 +/- 1.05   0.002% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.86 +/- 1.27   0.001% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.45 +/- 0.69   0.001% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 9.46:
          QG2   THR   77 - HB2   PHE   45   3.36 +/- 1.15  95.258% * 94.3285% (0.45   1.84   9.46) =  99.948%  kept
          QG2   ILE   56 - HB2   PHE   45   7.81 +/- 1.99   3.919% *  1.0280% (0.45   0.02   0.02) =   0.045%
          QG2   THR   23 - HB2   PHE   45  14.23 +/- 0.95   0.110% *  2.1690% (0.95   0.02   0.02) =   0.003%
          QB    ALA   88 - HB2   PHE   45   9.53 +/- 0.86   0.610% *  0.3538% (0.15   0.02   0.02) =   0.002%
          QB    ALA   34 - HB2   PHE   45  14.17 +/- 0.44   0.101% *  1.4833% (0.65   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HB2   PHE   45  23.90 +/- 0.98   0.003% *  0.6375% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 10.2:
        T QG2   ILE   89 - HB2   PHE   45   3.33 +/- 0.95  98.126% * 99.8023% (1.00 10.00   0.75  10.18) =  99.997%  kept
          QG1   VAL   83 - HB2   PHE   45   8.92 +/- 1.44   1.831% *  0.1510% (0.57  1.00   0.02   1.47) =   0.003%
          QD1   LEU  104 - HB2   PHE   45  14.24 +/- 0.74   0.044% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 2 structures by 0.30 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.25, residual support = 9.46:
          QG2   THR   77 - HB3   PHE   45   2.48 +/- 1.04  97.548% * 96.7442% (0.87   2.25   9.46) =  99.993%  kept
          HB3   LEU   80 - HB3   PHE   45   8.70 +/- 1.50   2.198% *  0.1962% (0.20   0.02   0.02) =   0.005%
          QB    ALA   88 - HB3   PHE   45   9.44 +/- 0.73   0.221% *  0.9826% (0.99   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HB3   PHE   45  15.32 +/- 1.73   0.018% *  0.3721% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  16.58 +/- 0.73   0.012% *  0.3060% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  19.98 +/- 0.70   0.002% *  0.6413% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  23.74 +/- 0.93   0.001% *  0.7576% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 10.2:
        T QG2   ILE   89 - HB3   PHE   45   3.03 +/- 0.82 100.000% *100.0000% (0.69 10.00   0.75  10.18) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.22, residual support = 80.4:
      O   QD    PHE   45 - HB2   PHE   45   2.59 +/- 0.16  99.992% * 99.6976% (0.65  10.0   4.22  80.36) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  13.54 +/- 1.01   0.006% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  18.04 +/- 1.59   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.69 +/- 2.33   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.68, residual support = 80.4:
      O   HN    PHE   45 - HB2   PHE   45   2.61 +/- 0.46  99.353% * 99.8082% (0.73  10.0   3.68  80.36) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.46 +/- 0.36   0.602% *  0.0306% (0.22   1.0   0.02  18.87) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.14 +/- 1.18   0.042% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  16.36 +/- 1.06   0.004% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 80.4:
      O   QD    PHE   45 - HB3   PHE   45   2.40 +/- 0.18  99.996% * 99.6976% (0.65  10.0   4.93  80.36) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  14.52 +/- 0.80   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  19.00 +/- 1.50   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.75 +/- 2.35   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 80.4:
      O   HN    PHE   45 - HB3   PHE   45   3.40 +/- 0.42  98.000% * 99.8082% (0.73  10.0   4.00  80.36) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.77 +/- 0.34   1.863% *  0.0306% (0.22   1.0   0.02  18.87) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.87 +/- 1.06   0.124% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  15.61 +/- 0.87   0.014% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 1.0, residual support = 3.74:
          HA    ASP-  76 - QG2   THR   46   3.08 +/- 1.21 100.000% *100.0000% (0.41   1.00   3.74) = 100.000%  kept
    Distance limit 3.31 A violated in 2 structures by 0.33 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   2.46 +/- 0.28  99.814% * 97.6985% (0.76   3.39  34.51) =  99.999%  kept
          HN    LYS+  74 - QG2   THR   46   8.30 +/- 1.11   0.100% *  0.7550% (1.00   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   46   9.00 +/- 1.22   0.082% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  14.33 +/- 1.30   0.004% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  25.86 +/- 3.36   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.04 +/- 0.69  96.138% * 97.9529% (0.25   3.21  12.67) =  99.916%  kept
          QD    PHE   95 - QG2   THR   46   7.35 +/- 1.45   3.862% *  2.0471% (0.84   0.02   0.02) =   0.084%
    Distance limit 3.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.307, support = 0.941, residual support = 0.869:
          QB    CYS   50 - QG2   THR   46   5.14 +/- 0.96  58.176% * 82.4098% (0.31   0.99   0.91) =  94.931%  kept
          QE    LYS+  74 - QG2   THR   46   5.64 +/- 1.39  40.013% *  6.2531% (0.28   0.08   0.02) =   4.954%  kept
          HB2   PHE   72 - QG2   THR   46  11.34 +/- 1.42   0.537% *  5.3975% (1.00   0.02   0.02) =   0.057%
          HA    ALA   64 - QG2   THR   46  10.09 +/- 0.95   1.228% *  2.2239% (0.41   0.02   0.02) =   0.054%
          HB3   ASN   69 - QG2   THR   46  17.50 +/- 1.50   0.045% *  3.7158% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.50 A violated in 11 structures by 0.98 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.66:
      O   HN    SER   48 - HA    SER   48   2.79 +/- 0.03  99.992% * 99.9333% (0.49  10.0   2.61   9.66) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  13.75 +/- 0.95   0.008% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  23.47 +/- 0.63   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 9.66:
      O   HN    SER   48 - QB    SER   48   2.33 +/- 0.21  99.993% * 99.9496% (0.95  10.0   2.61   9.66) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.07 +/- 1.31   0.007% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  20.10 +/- 0.90   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 85.3:
      O   HN    TRP   49 - HB2   TRP   49   2.92 +/- 0.41  90.770% * 99.8654% (0.95  10.0   4.00  85.29) =  99.998%  kept
          HN    CYS   50 - HB2   TRP   49   4.33 +/- 0.23   9.230% *  0.0163% (0.15   1.0   0.02   2.75) =   0.002%
          HE22  GLN   30 - HB2   TRP   49  25.40 +/- 1.41   0.000% *  0.0975% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.02 +/- 1.74   0.000% *  0.0209% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2622 (7.36, 3.69, 29.61 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.72, residual support = 85.3:
      O   HD1   TRP   49 - HB2   TRP   49   3.14 +/- 0.24  99.996% * 99.6923% (0.80  10.0   4.72  85.29) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  19.89 +/- 2.01   0.002% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  20.26 +/- 1.59   0.002% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  24.23 +/- 0.80   0.001% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.73 +/- 1.46   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.783, support = 4.0, residual support = 84.4:
      O   HN    TRP   49 - HB3   TRP   49   3.51 +/- 0.15  72.678% * 97.1148% (0.79  10.0   4.00  85.29) =  98.939%  kept
          HN    CYS   50 - HB3   TRP   49   4.16 +/- 0.18  27.321% *  2.7702% (0.13   1.0   3.50   2.75) =   1.061%  kept
          HE22  GLN   30 - HB3   TRP   49  26.04 +/- 1.46   0.000% *  0.0948% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  30.99 +/- 1.95   0.000% *  0.0203% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.72, residual support = 85.3:
      O   HD1   TRP   49 - HB3   TRP   49   3.87 +/- 0.06  99.988% * 99.6923% (0.67  10.0   4.72  85.29) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  20.67 +/- 1.92   0.005% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  24.04 +/- 0.72   0.002% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  21.22 +/- 1.51   0.004% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  33.39 +/- 1.51   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.43 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.724, support = 0.02, residual support = 3.46:
          HB2   PRO   52 - HB3   TRP   49   8.70 +/- 0.44  98.833% * 45.9163% (0.72   0.02   3.49) =  99.094%  kept
          HB2   ASP-  62 - HB3   TRP   49  19.59 +/- 1.25   0.847% * 45.9163% (0.72   0.02   0.02) =   0.849%  kept
          HG2   MET   96 - HB3   TRP   49  22.86 +/- 0.76   0.320% *  8.1674% (0.13   0.02   0.02) =   0.057%
    Distance limit 3.81 A violated in 20 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.481, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  13.15 +/- 0.40  46.989% * 16.1708% (0.47   0.02   0.02) =  47.536%  kept
          QG    GLU-  79 - HB3   TRP   49  14.16 +/- 2.11  34.459% * 13.9029% (0.41   0.02   0.02) =  29.971%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.79 +/- 1.66  12.313% * 16.1708% (0.47   0.02   0.02) =  12.456%  kept
          HB    VAL  107 - HB3   TRP   49  19.01 +/- 1.14   5.644% * 27.0190% (0.79   0.02   0.02) =   9.541%  kept
          QG    GLN   32 - HB3   TRP   49  30.43 +/- 0.85   0.297% * 22.8711% (0.67   0.02   0.02) =   0.424%
          HG2   GLU-  29 - HB3   TRP   49  30.40 +/- 1.13   0.298% *  3.8655% (0.11   0.02   0.02) =   0.072%
    Distance limit 3.88 A violated in 20 structures by 7.59 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 7.32:
          QB    ALA   47 - QB    CYS   50   3.70 +/- 0.22  99.783% * 98.8345% (0.65   3.66   7.32) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  11.56 +/- 0.84   0.125% *  0.5402% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  13.52 +/- 1.00   0.047% *  0.4394% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  14.15 +/- 1.37   0.046% *  0.1859% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.19 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   3.44 +/- 0.38  93.755% * 99.5977% (1.00 10.00   1.50   8.20) =  99.994%  kept
          HD3   PRO   52 - QB    CYS   50   6.05 +/- 0.34   3.779% *  0.0966% (0.73  1.00   0.02   0.02) =   0.004%
          HD2   PRO   58 - QB    CYS   50   7.39 +/- 1.31   2.452% *  0.0648% (0.49  1.00   0.02   0.02) =   0.002%
          HA    VAL   83 - QB    CYS   50  17.37 +/- 0.84   0.007% *  0.0547% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.90 +/- 0.81   0.006% *  0.0296% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  22.80 +/- 1.00   0.001% *  0.1066% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  26.93 +/- 0.80   0.000% *  0.0500% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.799, support = 1.21, residual support = 7.07:
      O   HN    CYS   50 - QB    CYS   50   3.01 +/- 0.23  94.062% * 85.5749% (0.80  10.0   1.19   7.12) =  98.956%  kept
          HN    TRP   49 - QB    CYS   50   4.80 +/- 0.25   5.932% * 14.3195% (0.65   1.0   2.47   2.75) =   1.044%  kept
          HN    VAL   83 - QB    CYS   50  15.95 +/- 0.84   0.005% *  0.0610% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  20.26 +/- 1.18   0.001% *  0.0446% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.1:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.988% * 97.0144% (0.87  10.0 10.00   2.81  10.14) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.05 +/- 0.42   0.011% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  17.40 +/- 1.50   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.74 +/- 0.95   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.26 +/- 1.12   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.13 +/- 0.99   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.24 +/- 1.05   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.32 +/- 1.02   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.95 +/- 0.93   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  30.57 +/- 1.57   0.000% *  0.0724% (0.65   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 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 1.86, residual support = 17.5:
          HD3   PRO   93 - HB2   PRO   52   4.32 +/- 2.25  58.617% * 12.2423% (0.98   0.73   0.71) =  49.365%  kept
          HB3   CYS   53 - HB2   PRO   52   5.72 +/- 0.71   6.289% * 73.9040% (0.99   4.37  53.44) =  31.973%  kept
          QB    PHE   55 - HB2   PRO   52   4.63 +/- 0.57  27.226% *  8.8753% (0.92   0.56   0.25) =  16.623%  kept
          HD2   ARG+  54 - HB2   PRO   52   7.90 +/- 1.52   7.668% *  3.8631% (0.97   0.23   1.75) =   2.038%  kept
          HB2   PHE   59 - HB2   PRO   52  10.82 +/- 1.34   0.133% *  0.2342% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  15.09 +/- 0.80   0.019% *  0.0982% (0.29   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  16.18 +/- 1.61   0.015% *  0.0967% (0.28   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  15.11 +/- 1.45   0.017% *  0.0688% (0.20   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  17.49 +/- 1.38   0.007% *  0.0925% (0.27   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  17.78 +/- 1.12   0.007% *  0.0993% (0.29   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  22.59 +/- 1.70   0.001% *  0.3291% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  24.18 +/- 1.15   0.001% *  0.0967% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.403, support = 0.921, residual support = 3.3:
        T HD3   PRO   93 - HB3   PRO   52   4.86 +/- 1.67  52.466% * 55.1695% (0.41 10.00   0.75   0.71) =  87.755%  kept
          HB3   CYS   53 - HB3   PRO   52   6.45 +/- 0.81   7.620% * 21.2048% (0.25  1.00   4.73  53.44) =   4.899%  kept
          QB    PHE   55 - HB3   PRO   52   4.91 +/- 0.63  34.424% *  4.4801% (0.53  1.00   0.47   0.25) =   4.676%  kept
        T HD2   ARG+  54 - HB3   PRO   52   7.73 +/- 1.50   5.159% * 17.0623% (0.20 10.00   0.48   1.75) =   2.669%  kept
          HB2   PHE   59 - HB3   PRO   52  11.78 +/- 1.02   0.153% *  0.2881% (0.80  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HB3   PRO   52  23.64 +/- 1.12   0.002% *  1.6130% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  14.05 +/- 1.30   0.055% *  0.0170% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  18.77 +/- 1.72   0.010% *  0.0817% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  13.68 +/- 1.44   0.077% *  0.0103% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  16.44 +/- 1.23   0.022% *  0.0217% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  18.48 +/- 1.23   0.010% *  0.0330% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  23.66 +/- 0.77   0.002% *  0.0185% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.572, support = 0.297, residual support = 0.0648:
          HB3   LEU  115 - HB2   PRO   52  10.39 +/- 1.22   4.296% * 42.7869% (0.84   0.31   0.02) =  52.769%  kept
          HG2   LYS+ 102 - HG2   MET   96  10.39 +/- 1.44   2.901% * 27.7441% (0.29   0.57   0.22) =  23.102%  kept
          QB    ALA  110 - HB2   PRO   52   5.26 +/- 2.94  74.203% *  0.9284% (0.28   0.02   0.02) =  19.777%  kept
          HG    LEU   40 - HG2   MET   96  10.18 +/- 0.90   5.043% *  0.8193% (0.25   0.02   0.02) =   1.186%  kept
          HG    LEU  115 - HB2   PRO   52  11.44 +/- 1.00   2.851% *  0.9284% (0.28   0.02   0.02) =   0.760%  kept
          QB    ALA   61 - HB2   PRO   52  12.16 +/- 1.46   1.441% *  1.6253% (0.49   0.02   0.02) =   0.673%  kept
          HG    LEU   73 - HG2   MET   96  12.16 +/- 1.45   1.470% *  0.9466% (0.28   0.02   0.02) =   0.400%
          HG    LEU   67 - HG2   MET   96  14.46 +/- 2.41   1.353% *  0.7123% (0.21   0.02   0.02) =   0.277%
          HB3   LEU   67 - HG2   MET   96  13.65 +/- 1.21   0.939% *  0.6345% (0.19   0.02   0.02) =   0.171%
          HB3   LEU  115 - HG2   MET   96  14.37 +/- 1.34   0.669% *  0.8193% (0.25   0.02   0.02) =   0.157%
          QB    ALA  110 - HG2   MET   96  13.82 +/- 1.46   1.741% *  0.2727% (0.08   0.02   0.02) =   0.136%
          QG    LYS+  66 - HB2   PRO   52  18.10 +/- 1.67   0.109% *  2.7890% (0.84   0.02   0.02) =   0.087%
          QB    ALA   61 - HG2   MET   96  14.24 +/- 0.78   0.584% *  0.4774% (0.14   0.02   0.02) =   0.080%
          QB    ALA  120 - HB2   PRO   52  16.66 +/- 0.88   0.238% *  0.9284% (0.28   0.02   0.02) =   0.064%
          HG    LEU   80 - HG2   MET   96  13.79 +/- 1.70   0.575% *  0.3027% (0.09   0.02   0.02) =   0.050%
          QG    LYS+  66 - HG2   MET   96  16.49 +/- 1.19   0.205% *  0.8193% (0.25   0.02   0.02) =   0.048%
          HG    LEU   80 - HB2   PRO   52  19.16 +/- 2.65   0.162% *  1.0306% (0.31   0.02   0.02) =   0.048%
          HG    LEU   67 - HB2   PRO   52  21.59 +/- 2.14   0.063% *  2.4246% (0.73   0.02   0.02) =   0.044%
          HG    LEU   73 - HB2   PRO   52  21.98 +/- 2.66   0.045% *  3.2224% (0.97   0.02   0.02) =   0.041%
          QB    ALA  120 - HG2   MET   96  15.05 +/- 0.90   0.417% *  0.2727% (0.08   0.02   0.02) =   0.033%
          HB3   LEU   67 - HB2   PRO   52  21.42 +/- 1.98   0.045% *  2.1600% (0.65   0.02   0.02) =   0.028%
          HG    LEU  115 - HG2   MET   96  16.18 +/- 1.22   0.318% *  0.2727% (0.08   0.02   0.02) =   0.025%
          HG12  ILE   19 - HG2   MET   96  15.95 +/- 1.97   0.287% *  0.2184% (0.07   0.02   0.02) =   0.018%
          HG    LEU   40 - HB2   PRO   52  24.12 +/- 2.19   0.020% *  2.7890% (0.84   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HB2   PRO   52  28.01 +/- 2.89   0.008% *  3.3316% (1.00   0.02   0.02) =   0.008%
          HG12  ILE   19 - HB2   PRO   52  25.55 +/- 2.26   0.016% *  0.7434% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.11 A violated in 9 structures by 1.80 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 = 0.645, support = 0.0199, residual support = 0.467:
          HB3   PRO   93 - HD2   PRO   52   7.95 +/- 1.31  72.276% *  5.3763% (0.65  1.00   0.02   0.71) =  64.699%  kept
          QB    ALA   84 - HD2   PRO   52  10.89 +/- 1.14  13.352% *  5.7087% (0.69  1.00   0.02   0.02) =  12.691%  kept
        T QB    ALA   88 - HD2   PRO   52  13.77 +/- 1.89   3.392% * 14.5547% (0.18 10.00   0.02   0.02) =   8.221%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.18 +/- 1.02   3.929% *  8.1462% (0.98  1.00   0.02   0.02) =   5.329%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.60 +/- 2.26   3.604% *  6.9417% (0.84  1.00   0.02   0.02) =   4.165%  kept
          HB2   LEU   63 - HD2   PRO   52  15.53 +/- 1.11   1.624% *  8.3107% (1.00  1.00   0.02   0.02) =   2.248%  kept
          HB3   LEU   80 - HD2   PRO   52  16.74 +/- 1.96   1.097% *  8.1462% (0.98  1.00   0.02   0.02) =   1.488%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  19.52 +/- 1.32   0.341% * 12.8231% (0.15 10.00   0.02   0.02) =   0.728%  kept
          HG    LEU   98 - HD2   PRO   52  22.04 +/- 0.96   0.168% *  6.6547% (0.80  1.00   0.02   0.02) =   0.186%
          QB    ALA  124 - HD2   PRO   52  24.49 +/- 1.02   0.108% *  7.4533% (0.90  1.00   0.02   0.02) =   0.134%
          HB2   LEU   31 - HD2   PRO   52  26.52 +/- 1.23   0.060% *  7.4533% (0.90  1.00   0.02   0.02) =   0.075%
          HG2   LYS+  99 - HD2   PRO   52  28.70 +/- 0.93   0.035% *  4.7052% (0.57  1.00   0.02   0.02) =   0.027%
          HG2   LYS+  38 - HD2   PRO   52  33.35 +/- 1.29   0.014% *  3.7260% (0.45  1.00   0.02   0.02) =   0.009%
    Distance limit 3.56 A violated in 20 structures by 3.88 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.38, residual support = 223.3:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.991% * 97.1447% (0.80  10.0 10.00   7.38 223.26) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.70 +/- 0.82   0.008% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  19.86 +/- 1.94   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.27 +/- 2.32   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.09 +/- 1.63   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.90 +/- 1.25   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.47 +/- 1.11   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  23.44 +/- 1.68   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  21.95 +/- 1.20   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.76 +/- 1.50   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.06 +/- 1.51   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.81 +/- 1.57   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  29.99 +/- 1.85   0.000% *  0.0212% (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 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.38, residual support = 223.3:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.461% * 98.5557% (0.87  10.0 10.00   7.38 223.26) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.47 +/- 0.59   0.538% *  0.0426% (0.38   1.0  1.00   0.02  53.44) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.35 +/- 1.91   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  19.56 +/- 1.51   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.21 +/- 0.86   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.96 +/- 1.35   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  28.91 +/- 1.36   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  30.81 +/- 2.16   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.03 +/- 1.22   0.000% *  0.0509% (0.45   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 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 13.8:
      O   HA1   GLY   51 - HD3   PRO   52   2.19 +/- 0.18  99.958% * 97.0168% (0.76  10.0  1.00   3.95  13.77) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.83 +/- 1.64   0.014% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52   9.85 +/- 0.91   0.024% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  16.12 +/- 2.25   0.001% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  15.21 +/- 1.14   0.001% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  16.66 +/- 1.95   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.66 +/- 1.17   0.000% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  31.38 +/- 1.17   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  20.67 +/- 1.78   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  40.52 +/- 3.75   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  37.58 +/- 3.53   0.000% *  0.0251% (0.20   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 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.16, residual support = 13.8:
      O   HA1   GLY   51 - HD2   PRO   52   2.96 +/- 0.24  99.844% * 92.3448% (0.34  10.0  1.00   5.16  13.77) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52   9.78 +/- 1.32   0.125% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.17 +/- 1.62   0.005% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.72 +/- 0.99   0.013% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.05 +/- 1.99   0.010% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.50 +/- 1.00   0.000% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  19.98 +/- 1.41   0.001% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  29.87 +/- 1.04   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  30.76 +/- 2.44   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.06 +/- 1.02   0.000% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  35.95 +/- 3.49   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  38.92 +/- 3.69   0.000% *  0.2701% (1.00   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 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.3:
      O   HG2   PRO   52 - HD3   PRO   52   2.88 +/- 0.13  98.958% * 99.6603% (0.90  10.0   6.60 223.26) = 100.000%  kept
          HG2   MET   92 - HD3   PRO   52   7.00 +/- 1.27   1.022% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD3   PRO   52  14.48 +/- 1.72   0.008% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  16.18 +/- 2.42   0.005% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.54 +/- 1.47   0.007% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.75 +/- 1.67   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  36.07 +/- 1.69   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.3:
      O   HG3   PRO   52 - HD3   PRO   52   2.33 +/- 0.13  99.972% * 99.3977% (0.97  10.0  1.00   6.60 223.26) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52  10.20 +/- 1.58   0.023% *  0.2038% (0.20   1.0 10.00   0.02   0.71) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.40 +/- 1.27   0.005% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.05 +/- 1.94   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  32.33 +/- 3.10   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.54 +/- 0.99   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.53 +/- 1.36   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  40.36 +/- 4.43   0.000% *  0.0924% (0.90   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 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.74, residual support = 223.3:
      O   HB3   PRO   52 - HD3   PRO   52   3.65 +/- 0.24  97.259% * 98.5682% (0.57  10.0   6.74 223.26) =  99.996%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.07 +/- 0.66   2.157% *  0.1647% (0.95   1.0   0.02   1.75) =   0.004%
          HB3   GLN   90 - HD3   PRO   52  11.84 +/- 2.40   0.264% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   PRO   52  10.41 +/- 1.55   0.244% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  13.67 +/- 1.86   0.055% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.38 +/- 1.16   0.013% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.90 +/- 1.23   0.002% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.80 +/- 1.33   0.001% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.51 +/- 1.08   0.001% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  27.05 +/- 1.27   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.66 +/- 1.51   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.52 +/- 1.38   0.001% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  25.21 +/- 1.48   0.001% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  34.50 +/- 1.26   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.09, residual support = 53.4:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.02  99.976% * 99.3014% (0.61   6.09  53.44) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.43 +/- 2.65   0.022% *  0.2017% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  25.58 +/- 1.69   0.001% *  0.3476% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.67 +/- 1.49   0.000% *  0.1494% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 3.59, residual support = 13.8:
          HN    GLY   51 - HD3   PRO   52   3.09 +/- 0.71  99.991% * 99.4791% (0.92   3.59  13.77) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.24 +/- 1.21   0.009% *  0.5209% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.07 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   4.34 +/- 0.23  88.976% * 83.2666% (0.61   1.78   1.75) =  98.101%  kept
          HN    PHE   55 - HD2   PRO   52   6.21 +/- 0.21  10.906% * 13.1377% (0.73   0.24   0.25) =   1.897%  kept
          HN    ASP-  62 - HD2   PRO   52  14.47 +/- 0.99   0.082% *  1.4212% (0.92   0.02   0.02) =   0.002%
          HN    ALA   88 - HD2   PRO   52  16.69 +/- 1.74   0.033% *  0.3839% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.80 +/- 1.25   0.002% *  1.4858% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.94 +/- 1.16   0.001% *  0.3047% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 2 structures by 0.65 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 53.4:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.03  99.998% * 99.4796% (0.61   8.20  53.44) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.27 +/- 2.40   0.002% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  24.28 +/- 1.50   0.000% *  0.2589% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.20 +/- 1.27   0.000% *  0.1113% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 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   3.99 +/- 0.28  98.402% * 96.8477% (0.92   1.50   8.20) =  99.985%  kept
          HB3   ASP-  78 - HB3   CYS   53  10.25 +/- 2.54   1.317% *  0.7920% (0.57   0.02   0.02) =   0.011%
          QE    LYS+  74 - HB3   CYS   53  11.57 +/- 1.40   0.265% *  1.3233% (0.95   0.02   0.02) =   0.004%
          HB2   PHE   72 - HB3   CYS   53  18.34 +/- 1.42   0.012% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  23.86 +/- 1.53   0.003% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   3.44 +/- 0.38  99.510% * 99.6254% (0.92 10.00   1.50   8.20) = 100.000%  kept
          QE    LYS+  74 - HB2   CYS   53  11.47 +/- 1.48   0.143% *  0.1291% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   CYS   53  10.35 +/- 2.15   0.340% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  18.45 +/- 1.34   0.006% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  23.96 +/- 1.52   0.001% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.944, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   3.67 +/- 1.36  97.653% * 41.1882% (0.95 10.00   0.02   0.02) =  99.781%  kept
          QB    ALA   91 - HA    CYS   53   9.02 +/- 0.81   2.083% *  3.9049% (0.90  1.00   0.02   0.02) =   0.202%
          HG2   LYS+  74 - HA    CYS   53  13.76 +/- 1.80   0.202% *  1.4852% (0.34  1.00   0.02   0.02) =   0.007%
        T HG13  ILE   19 - HA    CYS   53  22.30 +/- 1.32   0.008% * 24.6510% (0.57 10.00   0.02   0.02) =   0.005%
        T HG    LEU   71 - HA    CYS   53  24.23 +/- 1.07   0.005% * 13.4389% (0.31 10.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    CYS   53  20.44 +/- 0.79   0.013% *  3.4865% (0.80  1.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    CYS   53  20.98 +/- 0.91   0.011% *  3.9049% (0.90  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    CYS   53  19.27 +/- 1.09   0.021% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    CYS   53  30.97 +/- 1.41   0.001% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  25.69 +/- 1.27   0.003% *  1.6341% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 7 structures by 0.79 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.78, residual support = 43.9:
      O   HN    CYS   53 - HA    CYS   53   2.73 +/- 0.04  99.996% * 99.7861% (0.61  10.0   4.78  43.91) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  15.89 +/- 1.92   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  23.98 +/- 1.23   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  26.00 +/- 0.98   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 43.9:
      O   HN    CYS   53 - HB2   CYS   53   2.77 +/- 0.47  99.989% * 99.7861% (0.61  10.0   4.92  43.91) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.58 +/- 1.67   0.010% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  22.80 +/- 1.16   0.001% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.87 +/- 0.79   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.96, support = 5.52, residual support = 31.8:
          HN    ARG+  54 - HB2   CYS   53   3.43 +/- 0.24  91.134% * 94.2699% (0.97   5.55  31.95) =  99.508%  kept
          HN    PHE   55 - HB2   CYS   53   5.13 +/- 0.27   8.698% *  4.8814% (0.31   0.90   0.02) =   0.492%
          HN    ASP-  62 - HB2   CYS   53  10.45 +/- 0.91   0.167% *  0.3332% (0.95   0.02   0.02) =   0.001%
          HN    LEU   31 - HB2   CYS   53  23.94 +/- 0.86   0.001% *  0.3159% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  29.42 +/- 0.80   0.000% *  0.1994% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 31.9:
          HN    ARG+  54 - HB3   CYS   53   3.80 +/- 0.29  99.397% * 99.1732% (0.87   5.36  31.95) =  99.999%  kept
          HN    ASP-  62 - HB3   CYS   53  10.60 +/- 1.33   0.601% *  0.2243% (0.53   0.02   0.02) =   0.001%
          HN    LEU   31 - HB3   CYS   53  23.74 +/- 0.93   0.002% *  0.1911% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  29.21 +/- 0.92   0.001% *  0.4114% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.86, residual support = 170.2:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.86 +/- 0.18  97.350% * 99.8484% (0.87  10.0 10.00   4.86 170.24) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   6.50 +/- 1.42   2.647% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.49 +/- 1.45   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.53 +/- 2.22   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  29.68 +/- 1.43   0.000% *  0.0516% (0.45   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 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.61, residual support = 170.2:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.824% * 99.6886% (0.87  10.0 10.00   3.61 170.24) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.14 +/- 1.21   0.162% *  0.0559% (0.49   1.0  1.00   0.02   3.13) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.11 +/- 0.57   0.011% *  0.0920% (0.80   1.0  1.00   0.02  31.95) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.42 +/- 2.20   0.002% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.80 +/- 1.31   0.001% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  24.12 +/- 1.39   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 = 170.2:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.61 170.24) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  25.27 +/- 2.49   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 = 170.2:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.71 +/- 0.28  98.424% * 99.8484% (0.87  10.0 10.00   3.74 170.24) = 100.000%  kept
          QB    ALA   57 - HD3   ARG+  54   6.59 +/- 1.37   1.574% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   ARG+  54  17.84 +/- 2.08   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.57 +/- 2.09   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  29.75 +/- 1.67   0.000% *  0.0516% (0.45   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 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 170.2:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.55 +/- 0.28  99.933% * 97.6350% (0.49  10.0 10.00   3.89 170.24) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54  10.14 +/- 0.80   0.031% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  11.25 +/- 1.56   0.023% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  13.28 +/- 2.05   0.010% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.45 +/- 2.17   0.001% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  19.01 +/- 1.75   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.61 +/- 1.28   0.001% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  26.18 +/- 1.70   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.84 +/- 1.41   0.000% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  28.80 +/- 1.49   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  29.98 +/- 1.39   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.64 +/- 1.51   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  36.67 +/- 1.12   0.000% *  0.1852% (0.92   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 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 170.2:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.12 +/- 0.47  99.931% * 99.0727% (0.73  10.0   4.03 170.24) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  13.02 +/- 1.82   0.049% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.02 +/- 1.45   0.005% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.44 +/- 1.91   0.010% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.02 +/- 1.98   0.003% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  26.93 +/- 1.55   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  28.93 +/- 1.92   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  28.89 +/- 1.57   0.000% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  26.26 +/- 2.66   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  35.63 +/- 1.32   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  29.24 +/- 1.99   0.000% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  31.25 +/- 2.15   0.000% *  0.0211% (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 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 170.2:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.960% * 97.1361% (0.92  10.0 10.00   4.97 170.24) = 100.000%  kept
          HB3   PRO   52 - HG3   ARG+  54   7.28 +/- 0.96   0.031% *  0.0208% (0.20   1.0  1.00   0.02   1.75) =   0.000%
          HB    ILE   56 - HG3   ARG+  54   9.01 +/- 1.03   0.007% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  12.09 +/- 1.64   0.001% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.22 +/- 2.41   0.000% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  18.10 +/- 1.84   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.37 +/- 1.65   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  18.50 +/- 1.22   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.85 +/- 1.87   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  29.03 +/- 1.18   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.69 +/- 1.46   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.39 +/- 1.58   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  27.73 +/- 1.49   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  35.56 +/- 1.04   0.000% *  0.0512% (0.49   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 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.12, residual support = 170.2:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.82 +/- 0.21  99.982% * 97.7423% (0.31  10.0   5.12 170.24) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.55 +/- 1.70   0.005% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.18 +/- 1.60   0.003% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  14.67 +/- 1.72   0.007% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.77 +/- 1.83   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  26.15 +/- 1.48   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  25.49 +/- 2.17   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  27.91 +/- 1.86   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  28.50 +/- 1.55   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  27.79 +/- 1.58   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  30.24 +/- 2.01   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  25.59 +/- 1.56   0.000% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  34.51 +/- 1.34   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.2:
      O   HA    ARG+  54 - HG3   ARG+  54   3.47 +/- 0.42  99.939% * 99.5710% (1.00  10.0   5.75 170.24) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  14.79 +/- 1.65   0.044% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  19.25 +/- 1.80   0.005% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  17.82 +/- 1.62   0.010% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.92 +/- 1.93   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  28.96 +/- 1.45   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  31.48 +/- 0.96   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  32.11 +/- 1.96   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  37.83 +/- 1.05   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 170.2:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.71 +/- 0.28 100.000% * 99.9462% (0.76  10.0 10.00   3.74 170.24) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.47 +/- 2.76   0.000% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.864, support = 4.85, residual support = 168.6:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.86 +/- 0.18  90.375% * 90.5590% (0.87  10.0 10.00   4.86 170.24) =  99.018%  kept
          QB    PHE   55 - HG3   ARG+  54   5.27 +/- 1.25   8.809% *  9.2089% (0.49   1.0  1.00   3.62   3.13) =   0.981%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.77 +/- 0.80   0.698% *  0.0836% (0.80   1.0  1.00   0.02  31.95) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54  10.20 +/- 2.01   0.092% *  0.0633% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.82 +/- 1.24   0.025% *  0.0260% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.29 +/- 1.31   0.000% *  0.0591% (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 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.62, residual support = 170.2:
          HN    ARG+  54 - HG3   ARG+  54   3.49 +/- 0.62  99.960% * 99.3293% (0.87   6.62 170.24) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  14.03 +/- 0.92   0.040% *  0.1819% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  29.62 +/- 1.32   0.000% *  0.1550% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  34.69 +/- 0.96   0.000% *  0.3337% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 170.2:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.596% * 98.1061% (0.87  10.0 10.00   4.97 170.24) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   5.15 +/- 1.08   0.385% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68   9.57 +/- 2.50   0.019% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.75 +/- 1.76   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.93 +/- 1.73   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.15 +/- 2.16   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  28.06 +/- 1.58   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.37 +/- 1.65   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  24.15 +/- 2.89   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.26 +/- 1.28   0.000% *  0.0060% (0.05   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 2669 (2.02, 1.86, 27.63 ppm):
    24 chemical-shift based assignments, quality = 0.138, support = 2.76, residual support = 35.4:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  89.764% * 33.8555% (0.12  10.0  1.00   2.31  35.44) =  82.494%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.62 +/- 0.32  10.224% * 63.0750% (0.22  10.0  1.00   4.90  35.44) =  17.506%  kept
          QB    GLU-  15 - HG3   PRO   68  11.67 +/- 1.96   0.005% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  11.17 +/- 1.90   0.002% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  14.21 +/- 1.76   0.001% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.19 +/- 1.79   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  11.76 +/- 2.06   0.002% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.49 +/- 1.67   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  15.51 +/- 1.19   0.000% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  16.69 +/- 2.01   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  24.60 +/- 2.42   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  26.94 +/- 1.56   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  16.53 +/- 2.27   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.04 +/- 1.22   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  25.30 +/- 1.43   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  21.72 +/- 2.56   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  24.71 +/- 1.77   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  27.66 +/- 1.75   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.44 +/- 1.51   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  18.24 +/- 1.31   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  29.53 +/- 2.05   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  27.05 +/- 1.81   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.44 +/- 0.90   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  33.63 +/- 1.28   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 = 0.723, support = 4.8, residual support = 141.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.79 +/- 0.24  37.840% * 78.3262% (0.87  10.0 10.00   4.84 170.24) =  79.004%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.64 +/- 0.30  52.890% * 13.6416% (0.15  10.0  1.00   4.76  35.44) =  19.232%  kept
          QB    PHE   55 - HG2   ARG+  54   4.97 +/- 1.62   8.736% *  7.5707% (0.49   1.0  1.00   3.44   3.13) =   1.763%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.11 +/- 0.65   0.476% *  0.0723% (0.80   1.0  1.00   0.02  31.95) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.75 +/- 2.07   0.041% *  0.0548% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.01 +/- 1.33   0.015% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.20 +/- 1.93   0.000% *  0.2090% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.59 +/- 1.50   0.002% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.42 +/- 1.29   0.000% *  0.0511% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.10 +/- 1.55   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  21.87 +/- 1.39   0.000% *  0.0193% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.77 +/- 1.28   0.000% *  0.0146% (0.16   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 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 170.2:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.55 +/- 0.28 100.000% * 99.7339% (0.31  10.0 10.00   3.89 170.24) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  26.18 +/- 1.70   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 170.2:
      O T HA    ARG+  54 - HG2   ARG+  54   2.78 +/- 0.69  98.110% * 97.8074% (1.00  10.0 10.00   5.69 170.24) =  99.999%  kept
          HA    ALA  124 - HG3   PRO   68   8.73 +/- 2.28   1.809% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  14.13 +/- 1.80   0.045% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  15.42 +/- 1.99   0.008% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  18.73 +/- 1.71   0.002% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.65 +/- 1.77   0.001% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.30 +/- 1.73   0.008% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  15.45 +/- 1.27   0.007% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  26.24 +/- 0.94   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.20 +/- 1.97   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  18.32 +/- 2.43   0.004% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  17.82 +/- 2.33   0.004% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  20.62 +/- 1.36   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.12 +/- 1.21   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  28.18 +/- 1.42   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  30.58 +/- 0.97   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  31.26 +/- 2.07   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  36.94 +/- 1.06   0.000% *  0.0515% (0.53   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 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.52, residual support = 170.2:
          HN    ARG+  54 - HG2   ARG+  54   3.09 +/- 0.32  99.931% * 99.0584% (0.87   6.52 170.24) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  13.16 +/- 1.00   0.024% *  0.1843% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.23 +/- 1.21   0.037% *  0.0492% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.82 +/- 1.43   0.006% *  0.0902% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  20.09 +/- 1.05   0.002% *  0.0419% (0.12   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  23.69 +/- 1.40   0.001% *  0.0811% (0.23   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  28.78 +/- 1.33   0.000% *  0.1570% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  33.79 +/- 0.97   0.000% *  0.3380% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.96, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   5.51 +/- 1.03  99.152% * 19.4000% (0.97   0.02   0.02) =  99.488%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  16.34 +/- 2.03   0.309% * 19.7041% (0.98   0.02   0.02) =   0.315%
          HD2   LYS+  74 - HB3   ARG+  54  17.68 +/- 1.66   0.121% * 14.5972% (0.73   0.02   0.02) =   0.091%
          QD    LYS+  65 - HB3   ARG+  54  15.77 +/- 2.03   0.336% *  3.5205% (0.18   0.02   0.02) =   0.061%
          HB3   LEU  123 - HB3   ARG+  54  23.17 +/- 1.87   0.027% * 19.4000% (0.97   0.02   0.02) =   0.027%
          HB2   LYS+ 121 - HB3   ARG+  54  20.78 +/- 1.00   0.048% *  3.9782% (0.20   0.02   0.02) =   0.010%
          QD    LYS+  33 - HB3   ARG+  54  28.45 +/- 1.52   0.008% * 19.4000% (0.97   0.02   0.02) =   0.008%
    Distance limit 3.04 A violated in 19 structures by 2.47 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.33, residual support = 170.2:
      O   HN    ARG+  54 - HB3   ARG+  54   2.72 +/- 0.63  99.978% * 99.7769% (0.87  10.0   5.33 170.24) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.35 +/- 1.11   0.021% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  29.17 +/- 1.17   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  34.10 +/- 0.86   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.53, residual support = 170.2:
      O   HN    ARG+  54 - HB2   ARG+  54   2.96 +/- 0.61  99.951% * 99.6984% (0.87  10.0   6.53 170.24) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  13.35 +/- 1.04   0.020% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  15.09 +/- 1.69   0.015% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.68 +/- 1.61   0.010% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.57 +/- 2.35   0.002% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  22.29 +/- 3.07   0.001% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  29.39 +/- 0.95   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  34.27 +/- 0.66   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  24.00 +/- 2.74   0.001% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  27.57 +/- 3.68   0.001% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  30.02 +/- 2.63   0.000% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  37.88 +/- 4.21   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 28.0:
          QE    PHE   59 - HA    LEU  115   3.14 +/- 1.00  94.720% * 76.5284% (0.25   1.50  28.07) =  99.713%  kept
          HN    PHE   59 - HA    LEU  115   7.41 +/- 1.01   1.637% *  8.7281% (0.13   0.33  28.07) =   0.197%
          HN    PHE   59 - HA    ARG+  54   8.03 +/- 1.15   1.861% *  1.7025% (0.41   0.02   0.02) =   0.044%
          QD    PHE   60 - HA    ARG+  54   8.25 +/- 1.54   0.799% *  2.3446% (0.57   0.02   0.02) =   0.026%
          QE    PHE   59 - HA    ARG+  54  10.99 +/- 1.92   0.259% *  3.3161% (0.80   0.02   0.02) =   0.012%
          QD    PHE   60 - HA    LEU  115   9.16 +/- 1.11   0.634% *  0.7214% (0.17   0.02   0.02) =   0.006%
          HN    LYS+  66 - HA    ARG+  54  16.27 +/- 1.20   0.033% *  4.0593% (0.98   0.02   0.02) =   0.002%
          HN    LYS+  66 - HA    LEU  115  12.50 +/- 1.23   0.049% *  1.2491% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  19.53 +/- 1.58   0.004% *  1.0326% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  21.80 +/- 0.88   0.003% *  0.3177% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.16 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.927, support = 6.33, residual support = 160.5:
      O   HN    ARG+  54 - HA    ARG+  54   2.69 +/- 0.05  83.713% * 75.5578% (0.97  10.0   6.52 170.24) =  94.175%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.54 +/- 0.03  16.191% * 24.1648% (0.31  10.0   3.28   3.13) =   5.825%  kept
          HN    ASP-  62 - HA    ARG+  54  11.08 +/- 1.09   0.020% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.10 +/- 0.82   0.035% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  10.86 +/- 1.25   0.031% *  0.0074% (0.09   1.0   0.02   7.58) =   0.000%
          HN    ARG+  54 - HA    LEU  115  12.84 +/- 1.14   0.009% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  27.42 +/- 1.28   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  23.15 +/- 0.85   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.72 +/- 0.91   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  32.17 +/- 0.98   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.28, residual support = 19.8:
          HN    ILE   56 - QB    PHE   55   2.61 +/- 0.24  98.969% * 97.4388% (0.57   4.28  19.80) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   7.02 +/- 1.66   0.944% *  0.1792% (0.22   0.02   0.02) =   0.002%
          QE    PHE   60 - QB    PHE   55  10.21 +/- 1.56   0.071% *  0.2007% (0.25   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.89 +/- 0.94   0.013% *  0.5529% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.31 +/- 2.06   0.001% *  0.6723% (0.84   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  17.80 +/- 1.24   0.001% *  0.1792% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.57 +/- 1.15   0.000% *  0.7768% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 2.87, residual support = 20.2:
      O   HN    PHE   55 - QB    PHE   55   2.09 +/- 0.08  98.812% * 99.5965% (0.73  10.0   2.87  20.21) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.39 +/- 0.13   1.182% *  0.0832% (0.61   1.0   0.02   3.13) =   0.001%
          HN    ASP-  62 - QB    PHE   55  11.06 +/- 0.71   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  18.10 +/- 1.19   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.97 +/- 1.18   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  28.56 +/- 1.07   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.888, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.79 +/- 1.16  94.480% * 36.5548% (0.90   0.02   0.02) =  96.824%  kept
          HN    LYS+  66 - QB    PHE   55  15.34 +/- 0.84   3.826% * 16.7569% (0.41   0.02   0.02) =   1.798%  kept
          HN    LYS+  81 - QB    PHE   55  18.75 +/- 1.41   1.129% * 40.3993% (0.99   0.02   0.02) =   1.278%  kept
          HE3   TRP   27 - QB    PHE   55  21.14 +/- 1.18   0.565% *  6.2891% (0.15   0.02   0.02) =   0.100%
    Distance limit 3.19 A violated in 20 structures by 5.52 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.05, residual support = 124.4:
      O   HN    ILE   56 - HB    ILE   56   3.12 +/- 0.67  98.564% * 98.8687% (0.25  10.0   6.05 124.40) =  99.997%  kept
          QE    PHE   60 - HB    ILE   56   9.30 +/- 1.65   0.742% *  0.2245% (0.57   1.0   0.02   2.16) =   0.002%
          HN    LEU   63 - HB    ILE   56   9.53 +/- 1.44   0.690% *  0.1353% (0.34   1.0   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HB    ILE   56  19.29 +/- 2.13   0.004% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  23.89 +/- 1.40   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.466, support = 2.48, residual support = 17.3:
          QD    PHE   55 - HB    ILE   56   3.89 +/- 1.08  78.940% * 61.5247% (0.41   2.73  19.80) =  87.161%  kept
          QE    PHE   95 - HB    ILE   56   6.64 +/- 2.55  20.841% * 34.3193% (0.84   0.75   0.32) =  12.836%  kept
          HD1   TRP   49 - HB    ILE   56  12.92 +/- 1.93   0.127% *  0.8373% (0.76   0.02   0.02) =   0.002%
          HN    LEU   67 - HB    ILE   56  14.68 +/- 1.53   0.076% *  1.0860% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  21.51 +/- 1.88   0.006% *  0.6646% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  22.63 +/- 1.50   0.004% *  0.9504% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  20.62 +/- 1.32   0.007% *  0.3737% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.65 +/- 1.69   0.001% *  0.2439% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.7, residual support = 124.4:
      O T QD1   ILE   56 - HB    ILE   56   2.70 +/- 0.42  99.967% * 99.4902% (0.87  10.0 10.00   4.70 124.40) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  13.30 +/- 1.78   0.022% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  15.27 +/- 1.34   0.007% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  15.99 +/- 1.72   0.004% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  23.26 +/- 1.29   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.96, residual support = 124.4:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.994% * 98.2187% (0.87  10.0 10.00   3.96 124.40) = 100.000%  kept
        T HG3   LYS+ 121 - QG1   ILE   56  12.19 +/- 0.97   0.002% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QG1   ILE   56  13.31 +/- 1.66   0.001% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.06 +/- 0.89   0.003% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  19.51 +/- 1.14   0.000% *  0.0508% (0.45   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 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.87, residual support = 124.4:
        T QG2   ILE   56 - QD1   ILE   56   2.62 +/- 0.61  99.690% * 98.5057% (0.72 10.00   4.87 124.40) = 100.000%  kept
          QB    ALA   91 - QD1   ILE   56   8.64 +/- 1.62   0.154% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  16.11 +/- 0.74   0.003% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   8.40 +/- 1.06   0.147% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  17.75 +/- 1.10   0.002% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.98 +/- 0.75   0.004% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.91 +/- 1.41   0.000% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.572, support = 1.5, residual support = 2.13:
          QB    ALA  110 - QD1   ILE   56   4.87 +/- 1.62   9.661% * 84.3818% (0.85  1.00   2.11   3.34) =  56.725%  kept
          HB3   LEU  115 - QD1   ILE   56   2.87 +/- 0.92  88.668% *  6.9971% (0.21  1.00   0.71   0.56) =  43.171%  kept
          QB    ALA   61 - QD1   ILE   56   7.42 +/- 0.54   1.337% *  0.8891% (0.94  1.00   0.02   0.02) =   0.083%
        T HD3   LYS+ 121 - QD1   ILE   56  11.01 +/- 0.98   0.063% *  2.4776% (0.26 10.00   0.02   0.02) =   0.011%
          QG    LYS+  66 - QD1   ILE   56  10.12 +/- 1.02   0.106% *  0.7730% (0.82  1.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QD1   ILE   56  13.08 +/- 0.95   0.027% *  0.8735% (0.93  1.00   0.02   0.02) =   0.002%
          HG    LEU   80 - QD1   ILE   56  16.25 +/- 1.80   0.017% *  0.8226% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   ILE   56  16.30 +/- 1.10   0.013% *  0.6121% (0.65  1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - QD1   ILE   56  15.48 +/- 1.65   0.019% *  0.3663% (0.39  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  14.03 +/- 1.03   0.028% *  0.2222% (0.24  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.14 +/- 1.49   0.045% *  0.1375% (0.15  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  18.41 +/- 1.16   0.005% *  0.7443% (0.79  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  15.50 +/- 1.03   0.009% *  0.1984% (0.21  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.09 +/- 2.02   0.002% *  0.5045% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 3 structures by 0.26 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.96, residual support = 124.4:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.809% * 98.9931% (0.85  10.0 10.00   3.96 124.40) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   6.90 +/- 1.33   0.152% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.08 +/- 1.42   0.029% *  0.0341% (0.29   1.0  1.00   0.02   2.10) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.25 +/- 1.45   0.007% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  16.10 +/- 1.01   0.000% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  11.98 +/- 1.17   0.002% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.01 +/- 1.25   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.68 +/- 1.23   0.000% *  0.0884% (0.76   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 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.7, residual support = 124.4:
      O T HB    ILE   56 - QD1   ILE   56   2.70 +/- 0.42  98.044% * 98.1990% (0.72  10.0 10.00   4.70 124.40) =  99.998%  kept
          HB2   MET   92 - QD1   ILE   56   7.82 +/- 1.56   1.381% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.002%
          HB3   PRO   58 - QD1   ILE   56   6.79 +/- 0.53   0.450% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QD1   ILE   56   9.22 +/- 1.12   0.095% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.88 +/- 1.20   0.001% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  12.91 +/- 1.43   0.020% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  14.86 +/- 1.26   0.007% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.92 +/- 0.97   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.99 +/- 0.69   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  29.85 +/- 2.69   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.82, residual support = 6.71:
        T HA    LYS+ 112 - QD1   ILE   56   4.07 +/- 1.35  89.963% * 99.8486% (0.79 10.00   1.82   6.71) =  99.995%  kept
          HB    THR   46 - QD1   ILE   56   8.11 +/- 0.97   9.168% *  0.0405% (0.29  1.00   0.02   0.02) =   0.004%
          HB2   HIS  122 - QD1   ILE   56  11.66 +/- 1.41   0.820% *  0.0744% (0.54  1.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   ILE   56  19.17 +/- 1.94   0.049% *  0.0365% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 6 structures by 0.98 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.865, support = 3.09, residual support = 10.0:
          HA    ALA  110 - QD1   ILE   56   4.92 +/- 2.56  63.418% * 43.8080% (0.94   2.51   3.34) =  59.487%  kept
          HA    PHE   55 - QD1   ILE   56   4.98 +/- 1.03  34.049% * 55.5602% (0.76   3.94  19.80) =  40.506%  kept
          HA    VAL  107 - QD1   ILE   56   7.11 +/- 1.31   1.911% *  0.1322% (0.36   0.02   0.02) =   0.005%
          HA    GLN   90 - QD1   ILE   56  11.72 +/- 1.47   0.174% *  0.3333% (0.89   0.02   0.02) =   0.001%
          HA    ALA   91 - QD1   ILE   56  10.00 +/- 1.38   0.380% *  0.0879% (0.24   0.02   0.02) =   0.001%
          HA    VAL   42 - QD1   ILE   56  12.32 +/- 0.95   0.068% *  0.0784% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 5 structures by 0.46 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.61 +/- 0.52 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.32 A violated in 20 structures by 7.28 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 0.75, residual support = 19.9:
          HN    PHE   59 - QD1   ILE   56   3.97 +/- 0.40  99.684% * 86.6026% (0.29   0.75  19.87) =  99.976%  kept
          HN    HIS  122 - QD1   ILE   56  10.67 +/- 0.82   0.286% *  6.4904% (0.82   0.02   0.02) =   0.022%
          HH2   TRP   87 - QD1   ILE   56  16.56 +/- 1.64   0.029% *  6.9071% (0.87   0.02   0.02) =   0.002%
    Distance limit 3.41 A violated in 3 structures by 0.59 A, kept.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.5:
          HN    ALA   57 - QD1   ILE   56   3.64 +/- 0.54  94.649% * 98.3780% (0.42   4.64  33.50) =  99.979%  kept
          HE21  GLN  116 - QD1   ILE   56   7.23 +/- 1.95   5.311% *  0.3548% (0.36   0.02   0.02) =   0.020%
          HE21  GLN   90 - QD1   ILE   56  14.22 +/- 1.84   0.039% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  23.19 +/- 0.99   0.002% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 5.81, residual support = 124.3:
          HN    ILE   56 - QD1   ILE   56   3.27 +/- 0.95  94.251% * 96.2146% (0.24   5.82 124.40) =  99.957%  kept
          QE    PHE   60 - QD1   ILE   56   7.69 +/- 1.43   4.187% *  0.7511% (0.54   0.02   2.16) =   0.035%
          HN    LEU   63 - QD1   ILE   56   7.63 +/- 0.57   1.530% *  0.4526% (0.32   0.02   0.02) =   0.008%
          HZ2   TRP   87 - QD1   ILE   56  15.50 +/- 1.79   0.028% *  1.3267% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.55 +/- 1.32   0.005% *  1.2550% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 3 structures by 0.30 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 0.02, residual support = 6.3:
          HN    LYS+ 112 - QD1   ILE   56   5.56 +/- 1.52  92.505% * 30.2931% (0.50   0.02   6.71) =  93.865%  kept
          HN    ASP-  78 - QD1   ILE   56  12.50 +/- 1.62   3.563% * 37.2476% (0.61   0.02   0.02) =   4.445%  kept
          HN    VAL   75 - QD1   ILE   56  11.53 +/- 0.91   3.927% * 12.8189% (0.21   0.02   0.02) =   1.686%  kept
          HN    MET   11 - QD1   ILE   56  30.65 +/- 2.65   0.006% * 19.6404% (0.32   0.02   0.02) =   0.004%
    Distance limit 3.65 A violated in 15 structures by 1.79 A, eliminated.
    Peak unassigned.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 19.9:
        T HB3   PHE   59 - QG1   ILE   56   3.15 +/- 0.57  95.641% * 99.8494% (0.38 10.00   3.00  19.87) =  99.993%  kept
          HB2   PHE   95 - QG1   ILE   56   6.75 +/- 1.12   4.359% *  0.1506% (0.57  1.00   0.02   0.32) =   0.007%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 2.52, residual support = 19.9:
        T HB2   PHE   59 - QG1   ILE   56   2.77 +/- 0.67  91.445% * 73.3067% (0.34 10.00   2.49  19.87) =  97.682%  kept
          QB    PHE   55 - QG1   ILE   56   4.69 +/- 0.67   6.102% * 25.9936% (0.61  1.00   3.99  19.80) =   2.311%  kept
          HD3   PRO   93 - QG1   ILE   56   6.40 +/- 0.60   1.335% *  0.1561% (0.73  1.00   0.02   0.02) =   0.003%
          HB3   CYS   53 - QG1   ILE   56   6.84 +/- 0.61   1.032% *  0.1927% (0.90  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - QG1   ILE   56  10.10 +/- 0.57   0.072% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  13.49 +/- 1.13   0.013% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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  10.42 +/- 0.66 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.87 A violated in 20 structures by 6.55 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 19.9:
          QD    PHE   59 - QG1   ILE   56   2.97 +/- 0.76  99.908% * 96.4506% (0.34   1.97  19.87) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  10.94 +/- 0.84   0.082% *  1.1778% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  17.30 +/- 1.54   0.006% *  1.3944% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.56 +/- 1.34   0.004% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 124.4:
      O   HN    ILE   56 - HA    ILE   56   2.87 +/- 0.07  99.667% * 98.8687% (0.25  10.0   5.05 124.40) =  99.999%  kept
          QE    PHE   60 - HA    ILE   56   9.04 +/- 1.01   0.192% *  0.2245% (0.57   1.0   0.02   2.16) =   0.000%
          HN    LEU   63 - HA    ILE   56   8.94 +/- 0.87   0.140% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  20.19 +/- 1.69   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  24.56 +/- 0.90   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 24.6:
        T HD2   PRO   58 - QB    ALA   57   2.19 +/- 0.27  81.658% * 98.8080% (0.95 10.00   5.07  24.56) =  99.992%  kept
          HB2   CYS   53 - QB    ALA   57   3.37 +/- 1.08  18.341% *  0.0356% (0.34  1.00   0.02   0.02) =   0.008%
        T HA    VAL   83 - QB    ALA   57  16.84 +/- 1.40   0.001% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.59 +/- 0.93   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  23.41 +/- 0.72   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.46 +/- 0.49  97.033% * 98.4865% (0.18  10.0   4.87  24.31) =  99.996%  kept
          HE21  GLN  116 - QB    ALA   57  10.72 +/- 2.51   2.947% *  0.1252% (0.22   1.0   0.02   0.02) =   0.004%
          HN    ALA  120 - QB    ALA   57  12.65 +/- 0.91   0.011% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  16.10 +/- 2.50   0.005% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.04 +/- 0.78   0.003% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.52 +/- 0.95   0.001% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 4.48, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.70 +/- 0.20  99.943% * 99.6015% (0.57  10.0   4.48  24.31) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.17 +/- 2.61   0.048% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  13.79 +/- 0.91   0.007% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  18.43 +/- 2.87   0.002% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.81 +/- 0.88   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  99.754% * 98.9094% (0.53  10.0 10.00   2.81  24.31) = 100.000%  kept
          HG3   PRO   93 - HA    ALA   57   7.26 +/- 2.04   0.226% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.52 +/- 1.44   0.011% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    ALA   57  11.18 +/- 1.41   0.006% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.13 +/- 0.98   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  16.73 +/- 1.34   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.62 +/- 1.31   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  18.13 +/- 1.15   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.62 +/- 0.87   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.65 +/- 1.10   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.93 +/- 1.74   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  22.04 +/- 1.32   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.237, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  11.15 +/- 1.47  92.924% *  5.7685% (0.15   0.02   0.02) =  81.229%  kept
          HN    LEU   80 - HB2   PRO   58  19.41 +/- 1.98   4.314% * 11.5391% (0.31   0.02   0.02) =   7.544%  kept
          HN    SER   85 - HB2   PRO   58  23.06 +/- 1.29   1.363% * 29.9364% (0.80   0.02   0.02) =   6.181%  kept
          HN    GLN   32 - HB2   PRO   58  27.12 +/- 1.08   0.536% * 37.3861% (1.00   0.02   0.02) =   3.034%  kept
          HN    ALA   34 - HB2   PRO   58  25.10 +/- 0.90   0.864% * 15.3699% (0.41   0.02   0.02) =   2.012%  kept
    Distance limit 3.88 A violated in 20 structures by 7.12 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 6.3, residual support = 40.7:
      O   HN    PHE   59 - HB3   PRO   58   4.01 +/- 0.30  90.352% * 99.6725% (0.61  10.0   6.30  40.68) =  99.993%  kept
          QE    PHE   59 - HB3   PRO   58   8.28 +/- 1.34   2.245% *  0.1360% (0.83   1.0   0.02  40.68) =   0.003%
          QD    PHE   60 - HB3   PRO   58   6.85 +/- 1.02   6.751% *  0.0382% (0.23   1.0   0.02   0.02) =   0.003%
          HN    LYS+  66 - HB3   PRO   58   9.75 +/- 1.13   0.603% *  0.1049% (0.64   1.0   0.02   0.02) =   0.001%
          HN    HIS  122 - HB3   PRO   58  14.25 +/- 0.79   0.047% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  23.65 +/- 1.04   0.002% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.0:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.654% * 99.7269% (0.95  10.0   5.39 146.97) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   8.15 +/- 1.55   0.346% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  23.93 +/- 1.14   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.86 +/- 0.94   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.87 +/- 0.83   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.0:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.576% * 99.2991% (0.76  10.0   4.50 146.97) =  99.999%  kept
          HA    THR   46 - HG3   PRO   58  10.38 +/- 1.28   0.398% *  0.1254% (0.97   1.0   0.02   0.02) =   0.001%
          HA    GLN   17 - HG3   PRO   58  18.39 +/- 1.52   0.010% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  18.00 +/- 0.79   0.010% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  23.87 +/- 1.55   0.002% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.30 +/- 0.94   0.002% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  28.73 +/- 2.40   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.56 +/- 0.94   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.54, residual support = 24.6:
          HN    ALA   57 - HD2   PRO   58   2.38 +/- 0.70  98.776% * 98.5761% (0.54   5.54  24.56) =  99.995%  kept
          HE21  GLN  116 - HD2   PRO   58  10.74 +/- 2.37   1.208% *  0.4066% (0.61   0.02   0.02) =   0.005%
          HN    ALA  120 - HD2   PRO   58  13.42 +/- 0.40   0.012% *  0.6066% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  19.40 +/- 3.17   0.002% *  0.1748% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.18 +/- 0.89   0.002% *  0.2359% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.0:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  94.702% * 99.2639% (0.72  10.0   6.52 146.97) =  99.998%  kept
          HA    THR   46 - HD3   PRO   58   8.42 +/- 0.96   1.361% *  0.1254% (0.91   1.0   0.02   0.02) =   0.002%
          HA    GLN   17 - HD2   PRO   68   7.92 +/- 1.06   2.320% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68   9.93 +/- 1.65   0.698% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  17.90 +/- 1.34   0.013% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  10.01 +/- 1.59   0.562% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  16.03 +/- 0.83   0.023% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  11.91 +/- 1.38   0.212% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.65 +/- 0.90   0.004% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  23.29 +/- 1.22   0.002% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.52 +/- 0.95   0.044% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  16.14 +/- 1.04   0.023% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  17.55 +/- 2.17   0.021% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  28.55 +/- 2.08   0.001% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  17.65 +/- 0.97   0.013% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  29.31 +/- 0.75   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 3.89, residual support = 24.6:
          HN    ALA   57 - HD3   PRO   58   2.16 +/- 0.71  96.096% * 97.8772% (0.54   3.89  24.56) =  99.977%  kept
          HE21  GLN  116 - HD3   PRO   58   9.42 +/- 2.32   3.711% *  0.5744% (0.61   0.02   0.02) =   0.023%
          HN    ALA  120 - HD3   PRO   58  11.84 +/- 0.41   0.013% *  0.8569% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.13 +/- 1.86   0.140% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  11.23 +/- 1.61   0.026% *  0.0379% (0.04   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.86 +/- 0.93   0.001% *  0.3333% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  19.17 +/- 3.16   0.001% *  0.2469% (0.26   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.26 +/- 1.67   0.003% *  0.0254% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.01 +/- 2.18   0.007% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.25 +/- 1.12   0.001% *  0.0223% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.6:
          QB    ALA   57 - HD3   PRO   58   3.23 +/- 0.40  98.957% * 96.7335% (0.87   3.30  24.56) =  99.999%  kept
          QD    LYS+  65 - HD3   PRO   58  10.48 +/- 1.13   0.115% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   PRO   58  13.19 +/- 1.11   0.031% *  0.6298% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.92 +/- 1.67   0.017% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  10.01 +/- 2.26   0.438% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.07 +/- 0.59   0.019% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  10.20 +/- 1.97   0.203% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.01 +/- 1.00   0.008% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68  10.05 +/- 0.61   0.129% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  13.47 +/- 2.01   0.033% *  0.0279% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  19.79 +/- 1.07   0.003% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.54 +/- 1.34   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.72 +/- 1.47   0.016% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.17 +/- 0.86   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  14.95 +/- 1.44   0.016% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.41 +/- 0.94   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  23.06 +/- 2.40   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  21.47 +/- 1.82   0.002% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 24.6:
        T QB    ALA   57 - HD2   PRO   58   2.19 +/- 0.27  99.980% * 97.4262% (0.87 10.00   5.07  24.56) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  10.51 +/- 1.21   0.013% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  13.28 +/- 1.17   0.003% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  20.06 +/- 1.21   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  16.05 +/- 1.68   0.001% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  15.70 +/- 0.55   0.001% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.41 +/- 0.96   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.47 +/- 0.89   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.06 +/- 1.44   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 147.0:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.954% * 99.6708% (0.89  10.0 10.00   7.73 146.97) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   6.83 +/- 0.91   0.045% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.29 +/- 0.93   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  21.83 +/- 0.90   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  14.72 +/- 1.71   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  26.09 +/- 0.92   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.14 +/- 1.39   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  27.26 +/- 0.77   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  23.30 +/- 2.07   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  20.36 +/- 1.21   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 147.0:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.994% * 99.5891% (0.95  10.0 10.00   7.73 146.97) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   9.11 +/- 0.43   0.005% *  0.0446% (0.42   1.0  1.00   0.02   0.70) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.29 +/- 0.93   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.36 +/- 1.03   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 = 40.7:
          HN    PHE   59 - HD2   PRO   58   3.71 +/- 0.04  98.186% * 99.0699% (0.69   6.65  40.68) =  99.997%  kept
          QE    PHE   59 - HD2   PRO   58   8.05 +/- 1.25   1.793% *  0.1399% (0.32   0.02  40.68) =   0.003%
          HN    HIS  122 - HD2   PRO   58  15.38 +/- 0.51   0.020% *  0.4021% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  22.71 +/- 0.85   0.002% *  0.3881% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 19.9:
        T QG1   ILE   56 - HB3   PHE   59   3.15 +/- 0.57  99.988% * 99.6917% (0.53 10.00   3.00  19.87) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  16.20 +/- 0.81   0.007% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.12 +/- 1.26   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.452, support = 0.732, residual support = 6.47:
          HB3   ASP-  62 - HB3   PHE   59   4.58 +/- 0.58  73.398% * 68.6400% (0.45   0.75   6.64) =  97.171%  kept
          HB    VAL  107 - HB3   PHE   59   7.88 +/- 1.27   4.244% * 17.3402% (0.38   0.23   1.11) =   1.420%  kept
          QE    LYS+ 112 - HB3   PHE   59   7.47 +/- 2.44  22.113% *  3.2692% (0.80   0.02   0.02) =   1.394%  kept
          HB3   PHE   45 - HB3   PHE   59  11.89 +/- 1.07   0.238% *  3.2692% (0.80   0.02   0.02) =   0.015%
          HB3   ASP-  86 - HB3   PHE   59  21.97 +/- 0.94   0.005% *  3.5414% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.81 +/- 1.14   0.001% *  3.9401% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 19.9:
        T QG1   ILE   56 - HB2   PHE   59   2.77 +/- 0.67  99.968% * 99.0024% (0.18 10.00   2.49  19.87) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  13.20 +/- 0.93   0.018% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  15.36 +/- 1.20   0.006% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.18 +/- 1.43   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.06 +/- 1.61   0.003% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  18.17 +/- 1.21   0.002% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.6:
      O   HN    PHE   59 - HB3   PHE   59   2.60 +/- 0.55  99.855% * 99.4232% (0.31  10.0   4.98  58.62) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59   9.77 +/- 1.09   0.144% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  20.19 +/- 1.49   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.6:
      O   HN    PHE   59 - HB2   PHE   59   2.37 +/- 0.41  96.704% * 99.7763% (1.00  10.0   4.37  58.62) =  99.997%  kept
          QE    PHE   59 - HB2   PHE   59   4.48 +/- 0.04   3.236% *  0.0799% (0.80   1.0   0.02  58.62) =   0.003%
          HN    HIS  122 - HB2   PHE   59  10.41 +/- 0.65   0.024% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.50 +/- 0.55   0.035% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  19.62 +/- 1.56   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 6.64:
          HB2   ASP-  62 - HA    PHE   59   3.18 +/- 0.46  99.933% * 97.0773% (0.99  1.00   1.50   6.64) =  99.999%  kept
        T QB    ASP- 113 - HA    PHE   59  12.39 +/- 0.91   0.040% *  2.2871% (0.18 10.00   0.02   0.02) =   0.001%
          HB2   PRO   52 - HA    PHE   59  13.20 +/- 1.21   0.027% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.64:
          HB3   ASP-  62 - HA    PHE   59   2.30 +/- 0.57  99.861% * 85.4423% (0.18  1.00   2.96   6.64) =  99.998%  kept
          HG3   GLN  116 - HA    PHE   59   9.39 +/- 1.55   0.135% *  1.1256% (0.34  1.00   0.02   0.30) =   0.002%
        T HB3   TRP   87 - HA    PHE   59  18.23 +/- 1.06   0.001% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    PHE   59  15.73 +/- 0.96   0.002% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.91 +/- 1.87   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.6:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.04  95.570% * 99.7763% (1.00  10.0   4.97  58.62) =  99.997%  kept
          QE    PHE   59 - HA    PHE   59   4.85 +/- 0.51   3.973% *  0.0799% (0.80   1.0   0.02  58.62) =   0.003%
          HN    LYS+  66 - HA    PHE   59   7.04 +/- 0.67   0.396% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.54 +/- 0.56   0.060% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  20.49 +/- 1.23   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 19.2:
          HN    PHE   60 - HB3   PHE   59   3.81 +/- 0.41  90.975% * 98.7580% (0.61   4.01  19.22) =  99.982%  kept
          HN    GLN  116 - HB3   PHE   59   6.42 +/- 1.03   6.697% *  0.1421% (0.18   0.02   0.30) =   0.011%
          HN    THR  118 - HB3   PHE   59   7.38 +/- 0.65   2.324% *  0.3045% (0.38   0.02  11.14) =   0.008%
          HN    GLU-  15 - HB3   PHE   59  22.25 +/- 1.50   0.003% *  0.7954% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 3.91, residual support = 71.6:
          QD    PHE   60 - HA    PHE   60   2.79 +/- 0.43  86.146% * 91.3249% (1.00   3.94  72.28) =  98.640%  kept
          QE    PHE   59 - HA    PHE   60   5.12 +/- 1.52  13.604% *  7.9659% (0.25   1.38  19.22) =   1.359%  kept
          HN    LYS+  66 - HA    PHE   60   7.73 +/- 0.30   0.248% *  0.3373% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  16.77 +/- 1.21   0.002% *  0.3719% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 72.3:
      O   HN    PHE   60 - HA    PHE   60   2.79 +/- 0.05  99.888% * 99.7483% (0.61  10.0   4.94  72.28) = 100.000%  kept
          HN    THR  118 - HA    PHE   60   9.79 +/- 0.89   0.064% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.36 +/- 0.92   0.047% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  18.89 +/- 1.40   0.001% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 40.9:
      O   HN    ALA   61 - HA    PHE   60   3.64 +/- 0.01  99.892% * 99.5823% (0.84  10.0   4.87  40.86) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  13.79 +/- 1.04   0.038% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  13.53 +/- 0.80   0.041% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.56 +/- 0.76   0.008% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  16.12 +/- 1.10   0.015% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  19.13 +/- 0.79   0.005% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.31 +/- 0.64   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.374, support = 0.646, residual support = 1.3:
          HA    ALA   57 - HB2   PHE   60   3.53 +/- 1.26  89.369% * 19.2608% (0.15   0.75   0.49) =  73.931%  kept
          HA    ASP-  44 - HB2   PHE   60   6.16 +/- 0.95  10.397% * 58.3171% (1.00   0.35   3.59) =  26.041%  kept
          HB    THR   77 - HB2   PHE   60  10.78 +/- 1.17   0.150% *  3.2629% (0.98   0.02   0.02) =   0.021%
          HA1   GLY   51 - HB2   PHE   60  12.77 +/- 0.98   0.037% *  1.2493% (0.38   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB2   PHE   60  14.87 +/- 1.37   0.020% *  1.8846% (0.57   0.02   0.02) =   0.002%
          HA    ILE  103 - HB2   PHE   60  17.00 +/- 1.23   0.010% *  3.0729% (0.92   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  17.78 +/- 0.99   0.007% *  3.2629% (0.98   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   PHE   60  19.56 +/- 0.97   0.004% *  1.6203% (0.49   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  20.63 +/- 1.15   0.003% *  1.6203% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  21.62 +/- 1.67   0.002% *  1.3685% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  30.23 +/- 2.84   0.000% *  3.3288% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  27.16 +/- 2.52   0.001% *  1.7514% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.3:
      O   QD    PHE   60 - HB2   PHE   60   2.38 +/- 0.15  99.936% * 99.7759% (0.76  10.0   3.76  72.28) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.41 +/- 0.29   0.028% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.30 +/- 0.92   0.033% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  15.89 +/- 1.19   0.001% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.09 +/- 1.17   0.002% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 4.84, residual support = 40.9:
          HN    ALA   61 - HB2   PHE   60   2.89 +/- 0.39  99.955% * 95.6889% (0.38   4.84  40.86) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  13.78 +/- 0.94   0.014% *  0.9452% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  13.05 +/- 1.22   0.022% *  0.4725% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.97 +/- 1.00   0.003% *  0.8439% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  21.37 +/- 1.09   0.001% *  0.9729% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  17.00 +/- 0.94   0.004% *  0.1626% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.81 +/- 1.31   0.001% *  0.3595% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  24.20 +/- 1.00   0.000% *  0.5545% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 72.3:
      O   HN    PHE   60 - HB2   PHE   60   2.12 +/- 0.42  99.981% * 99.7483% (0.61  10.0   4.80  72.28) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.39 +/- 1.07   0.008% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.10 +/- 1.09   0.010% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  20.41 +/- 1.46   0.000% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.37, residual support = 12.1:
        T QD1   LEU   63 - HA    PHE   60   2.62 +/- 0.48  93.775% * 98.2281% (1.00 10.00   3.37  12.14) =  99.996%  kept
          QD2   LEU   63 - HA    PHE   60   4.84 +/- 0.38   4.667% *  0.0556% (0.57  1.00   0.02  12.14) =   0.003%
          QD2   LEU  115 - HA    PHE   60   7.21 +/- 1.40   1.510% *  0.0820% (0.84  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    PHE   60  11.59 +/- 0.63   0.018% *  0.9823% (1.00 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  12.96 +/- 0.74   0.010% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  13.09 +/- 1.28   0.011% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  13.53 +/- 1.54   0.009% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.922, support = 1.5, residual support = 12.1:
        T HB2   LEU   63 - HA    PHE   60   3.02 +/- 0.50  49.631% * 98.8172% (0.92 10.00   1.50  12.14) =  99.857%  kept
          HB3   ASP-  44 - HA    PHE   60   3.19 +/- 1.11  50.060% *  0.1399% (0.98  1.00   0.02   3.59) =   0.143%
          HB3   PRO   93 - HA    PHE   60   7.27 +/- 0.79   0.248% *  0.1238% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    PHE   60  12.95 +/- 0.79   0.009% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  12.15 +/- 0.92   0.009% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  15.05 +/- 1.04   0.004% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  12.57 +/- 1.21   0.011% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  14.98 +/- 1.66   0.003% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.66 +/- 1.76   0.004% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.39 +/- 1.40   0.010% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  12.94 +/- 0.70   0.009% *  0.0220% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.46 +/- 1.01   0.001% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.15 +/- 0.88   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.79 +/- 0.96   0.000% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.63 +/- 0.80   0.000% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.349, support = 0.0199, residual support = 0.0199:
        T QG2   VAL   18 - HA    ALA   61   4.95 +/- 1.26  68.942% * 23.8406% (0.34 10.00   0.02   0.02) =  94.580%  kept
          QG2   THR   46 - HA    ALA   61   6.47 +/- 0.88  23.797% *  1.7428% (0.25  1.00   0.02   0.02) =   2.386%  kept
        T QG1   VAL   41 - HA    ALA   61  12.44 +/- 1.00   0.362% * 53.4130% (0.76 10.00   0.02   0.02) =   1.112%  kept
          QD2   LEU   73 - HA    ALA   61   9.31 +/- 1.04   2.447% *  6.0626% (0.87  1.00   0.02   0.02) =   0.854%  kept
          QD1   ILE   56 - HA    ALA   61   9.05 +/- 0.56   2.761% *  4.2391% (0.61  1.00   0.02   0.02) =   0.674%  kept
          QG1   VAL   43 - HA    ALA   61   9.92 +/- 0.44   1.639% *  3.9569% (0.57  1.00   0.02   0.02) =   0.373%
          HG    LEU   31 - HA    ALA   61  17.05 +/- 1.32   0.053% *  6.7450% (0.97  1.00   0.02   0.02) =   0.020%
    Distance limit 2.91 A violated in 17 structures by 1.72 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.58, residual support = 7.24:
        T QB    ALA   64 - HA    ALA   61   3.04 +/- 0.32  99.314% * 98.7496% (0.34 10.00   2.58   7.24) =  99.994%  kept
        T QG1   VAL   75 - HA    ALA   61   7.66 +/- 0.92   0.561% *  1.0865% (0.38 10.00   0.02   0.02) =   0.006%
          QD1   LEU  115 - HA    ALA   61   9.81 +/- 1.38   0.125% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.24:
          HN    ALA   64 - HA    ALA   61   3.37 +/- 0.18 100.000% *100.0000% (0.84   0.75   7.24) = 100.000%  kept
    Distance limit 3.99 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 = 2.78, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.83 +/- 0.04  99.987% * 98.9218% (0.38  10.0   2.78  18.04) = 100.000%  kept
          HD1   TRP   87 - HA    ALA   61  15.60 +/- 0.83   0.004% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  16.28 +/- 0.92   0.003% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  18.68 +/- 0.88   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  16.81 +/- 1.09   0.003% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  20.42 +/- 1.52   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.60 +/- 0.88   0.001% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.55 +/- 1.21   0.001% *  0.0407% (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 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.86, residual support = 72.3:
      O   QD    PHE   60 - HB3   PHE   60   2.62 +/- 0.16  92.397% * 99.6845% (0.73  10.0   3.86  72.28) =  99.993%  kept
          QE    PHE   59 - HB3   PHE   60   6.06 +/- 2.13   6.354% *  0.0888% (0.65   1.0   0.02  19.22) =   0.006%
          HN    PHE   59 - HB3   PHE   60   5.51 +/- 0.40   1.203% *  0.0382% (0.28   1.0   0.02  19.22) =   0.000%
          HN    LYS+  66 - HB3   PHE   60   9.46 +/- 0.44   0.044% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  15.28 +/- 1.12   0.003% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 72.3:
      O   HN    PHE   60 - HB3   PHE   60   2.88 +/- 0.38  99.999% * 99.5797% (0.20  10.0   4.94  72.28) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  20.05 +/- 1.63   0.001% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.905, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  12.84 +/- 1.06  74.038% * 23.9067% (0.95   0.02   0.02) =  81.848%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.84 +/- 1.46   5.842% * 20.2366% (0.80   0.02   0.02) =   5.466%  kept
          HN    TRP   27 - HB3   PHE   60  17.16 +/- 0.84  13.346% *  8.6206% (0.34   0.02   0.02) =   5.320%  kept
          HN    THR   39 - HB3   PHE   60  20.55 +/- 1.24   4.637% * 23.3294% (0.92   0.02   0.02) =   5.002%  kept
          HN    GLU-  36 - HB3   PHE   60  23.31 +/- 1.15   2.138% * 23.9067% (0.95   0.02   0.02) =   2.363%  kept
    Distance limit 3.59 A violated in 20 structures by 8.60 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 = 5.55:
          HA    LYS+  81 - QB    ALA   84   2.21 +/- 0.19  99.989% * 58.7581% (0.33  1.00   2.31   5.55) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  11.84 +/- 0.58   0.005% * 13.7635% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  17.85 +/- 0.72   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  14.77 +/- 1.21   0.001% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  14.97 +/- 0.75   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  25.06 +/- 0.98   0.000% * 11.3945% (0.74 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  17.35 +/- 2.41   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.91 +/- 0.41   0.002% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.11 +/- 0.93   0.001% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.03 +/- 0.77   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 2.22, residual support = 19.5:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.03  43.563% * 37.5467% (0.15  1.00   2.33  20.74) =  93.958%  kept
          HA    ASP-  86 - QB    ALA   84   6.49 +/- 0.08   1.687% * 51.2627% (0.84  1.00   0.57   0.02) =   4.968%  kept
          HB    THR   77 - QB    ALA   84   3.94 +/- 1.40  53.390% *  0.3223% (0.15  1.00   0.02   0.02) =   0.988%  kept
        T HA    ASP-  44 - QB    ALA   84   9.38 +/- 0.63   0.196% *  4.1337% (0.19 10.00   0.02   0.02) =   0.047%
          HA    TRP   87 - QB    ALA   84   6.93 +/- 0.17   1.157% *  0.5808% (0.27  1.00   0.02   0.02) =   0.039%
          HA    LEU  104 - QB    ALA   84  17.28 +/- 1.15   0.005% *  2.0159% (0.93  1.00   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  22.83 +/- 1.07   0.001% *  1.9282% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  26.97 +/- 1.74   0.000% *  1.7447% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  29.36 +/- 2.03   0.000% *  0.4650% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.27, residual support = 18.3:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.06  99.933% * 98.8488% (0.30  10.0   4.27  18.34) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   7.53 +/- 0.55   0.043% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84   9.62 +/- 0.61   0.009% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84   9.54 +/- 1.01   0.012% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  13.67 +/- 0.59   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  14.81 +/- 0.66   0.001% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  14.40 +/- 1.16   0.001% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.70 +/- 0.13  98.313% * 98.8043% (0.77   3.87  20.74) =  99.997%  kept
          HN    LEU   80 - QB    ALA   84   5.61 +/- 0.56   1.659% *  0.1969% (0.30   0.02   0.02) =   0.003%
          HN    CYS   53 - QB    ALA   84  11.46 +/- 1.00   0.023% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    ALA   84  15.59 +/- 0.71   0.003% *  0.6380% (0.97   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  16.67 +/- 0.68   0.002% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.928, support = 0.02, residual support = 24.5:
          HN    LEU  123 - QB    ALA  120   3.82 +/- 0.13  95.697% * 42.6516% (0.94   0.02  25.21) =  97.321%  kept
          HN    ALA  124 - QB    ALA  120   6.43 +/- 0.32   4.292% * 26.1005% (0.57   0.02   0.02) =   2.671%  kept
          HE21  GLN   17 - QB    ALA  120  18.46 +/- 2.53   0.011% * 31.2479% (0.69   0.02   0.02) =   0.008%
    Distance limit 2.76 A violated in 17 structures by 1.03 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.93, residual support = 5.53:
        T HA    SER  117 - QB    ALA  120   2.69 +/- 0.37  99.982% * 99.0784% (0.54 10.00   1.93   5.53) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.49 +/- 0.82   0.009% *  0.1714% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.85 +/- 1.35   0.002% *  0.1026% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.27 +/- 1.11   0.006% *  0.0317% (0.17  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.28 +/- 0.92   0.001% *  0.1244% (0.65  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.23 +/- 0.84   0.000% *  0.4033% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  24.14 +/- 0.65   0.000% *  0.0882% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.03, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.03 +/- 0.07  99.969% * 99.3531% (0.97  10.0   4.03  18.04) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.89 +/- 1.12   0.021% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  11.62 +/- 1.74   0.004% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  14.50 +/- 1.20   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  14.77 +/- 1.05   0.001% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.03 +/- 1.53   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  13.35 +/- 0.89   0.001% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  14.21 +/- 0.93   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  16.95 +/- 1.02   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.43 +/- 0.79   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  21.46 +/- 0.86   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.93 +/- 0.94   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 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   2.55 +/- 0.34  99.436% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA   61   7.83 +/- 0.82   0.224% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   7.51 +/- 0.71   0.286% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA  110  10.05 +/- 0.78   0.038% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.48 +/- 1.40   0.007% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  13.40 +/- 0.76   0.006% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  17.06 +/- 1.04   0.002% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  22.86 +/- 1.10   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.81 +/- 0.14  91.258% * 88.3387% (1.00   2.79   8.32) =  99.218%  kept
          HN    PHE   55 - QB    ALA  110   6.23 +/- 2.84   7.496% *  8.4119% (0.33   0.80   0.11) =   0.776%  kept
          HN    ARG+  54 - QB    ALA  110   7.69 +/- 2.80   1.136% *  0.4076% (0.64   0.02   0.02) =   0.006%
          HN    ARG+  54 - QB    ALA   61  10.06 +/- 0.79   0.048% *  0.5508% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61  10.26 +/- 0.74   0.041% *  0.2847% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  12.46 +/- 1.55   0.015% *  0.4689% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.27 +/- 1.04   0.003% *  0.6225% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.31 +/- 0.80   0.001% *  0.2611% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  22.26 +/- 0.78   0.000% *  0.4606% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  25.42 +/- 0.97   0.000% *  0.1932% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.83, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  19.63 +/- 1.38  35.395% * 28.1529% (1.00   0.02   0.02) =  44.930%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.70 +/- 1.82  34.283% * 21.5631% (0.76   0.02   0.02) =  33.333%  kept
          HA    TRP   87 - HB2   ASP-  62  22.78 +/- 0.85  14.243% * 12.6499% (0.45   0.02   0.02) =   8.124%  kept
          HA    ALA   12 - HB2   ASP-  62  25.14 +/- 2.73   8.629% * 18.2527% (0.65   0.02   0.02) =   7.102%  kept
          HA    ASP-  86 - HB2   ASP-  62  25.24 +/- 0.61   7.451% * 19.3814% (0.69   0.02   0.02) =   6.512%  kept
    Distance limit 3.43 A violated in 20 structures by 12.85 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.767, support = 0.02, residual support = 0.02:
        T HA    ASP-  86 - HB3   ASP-  62  24.51 +/- 0.77   7.874% * 70.6236% (0.67 10.00   0.02   0.02) =  42.253%  kept
          HA    LEU  104 - HB3   ASP-  62  18.83 +/- 1.20  39.642% * 10.2586% (0.98  1.00   0.02   0.02) =  30.899%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.87 +/- 1.71  29.787% *  7.8573% (0.75  1.00   0.02   0.02) =  17.783%  kept
          HA    TRP   87 - HB3   ASP-  62  21.98 +/- 1.10  15.502% *  4.6095% (0.44  1.00   0.02   0.02) =   5.429%  kept
          HA    ALA   12 - HB3   ASP-  62  25.41 +/- 2.59   7.194% *  6.6511% (0.63  1.00   0.02   0.02) =   3.636%  kept
    Distance limit 3.17 A violated in 20 structures by 12.84 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.01, residual support = 3.77:
          HN    LYS+  65 - HA    ASP-  62   3.35 +/- 0.13 100.000% *100.0000% (0.15   1.01   3.77) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.76 +/- 0.03  99.989% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.72 +/- 0.74   0.005% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.17 +/- 0.61   0.006% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  20.91 +/- 0.85   0.001% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.44 +/- 0.67   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.23, residual support = 42.4:
          HN    LEU   63 - HB2   ASP-  62   3.67 +/- 0.35  99.729% * 98.7108% (0.97   5.23  42.39) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.55 +/- 0.83   0.227% *  0.3506% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  14.78 +/- 1.89   0.035% *  0.2057% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  20.42 +/- 0.81   0.004% *  0.1903% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  21.13 +/- 0.76   0.003% *  0.2057% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  23.46 +/- 0.78   0.002% *  0.2685% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.34 +/- 1.02   0.000% *  0.0685% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.09 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   2.75 +/- 0.52  99.989% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.45 +/- 1.06   0.010% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.21 +/- 0.73   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.71 +/- 0.82   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.23, residual support = 42.4:
          HN    LEU   63 - HB3   ASP-  62   2.86 +/- 0.30  99.918% * 98.7108% (0.95   5.23  42.39) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.05 +/- 0.65   0.067% *  0.3506% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.91 +/- 2.08   0.012% *  0.2057% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  19.72 +/- 0.95   0.001% *  0.1903% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  20.51 +/- 0.68   0.001% *  0.2057% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  22.94 +/- 0.81   0.000% *  0.2685% (0.67   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.96 +/- 1.00   0.000% *  0.0685% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 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   2.42 +/- 0.26  99.987% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB3   ASP-  62  13.10 +/- 0.70   0.005% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   ASP-  62  12.14 +/- 0.68   0.008% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  21.76 +/- 0.76   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.31 +/- 0.82   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.982, support = 1.98, residual support = 5.31:
          QB    LYS+  66 - HA    LEU   63   2.95 +/- 0.50  95.632% * 47.4652% (1.00   1.91   5.47) =  95.857%  kept
          QB    LYS+  65 - HA    LEU   63   5.36 +/- 0.26   3.918% * 50.0360% (0.57   3.55   1.53) =   4.140%  kept
          HG    LEU  123 - HA    LEU   63   9.19 +/- 1.30   0.375% *  0.2816% (0.57   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    LEU   63  13.19 +/- 1.10   0.022% *  0.4706% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.49 +/- 0.94   0.028% *  0.2617% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  13.84 +/- 0.88   0.012% *  0.4461% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  15.26 +/- 1.38   0.008% *  0.4155% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.18 +/- 0.96   0.003% *  0.3417% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.18 +/- 1.06   0.002% *  0.2816% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.525, support = 1.57, residual support = 5.48:
          HN    LYS+  66 - HA    LEU   63   3.52 +/- 0.30  77.923% * 46.0058% (0.53   1.61   5.47) =  95.212%  kept
          QE    PHE   59 - HA    LEU   63   5.52 +/- 1.83  20.433% *  4.9652% (0.14   0.67   0.74) =   2.694%  kept
          QD    PHE   60 - HA    LEU   63   6.92 +/- 0.35   1.642% * 47.9995% (0.97   0.91  12.14) =   2.094%  kept
          HN    LYS+  81 - HA    LEU   63  21.19 +/- 1.02   0.002% *  1.0295% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.42, residual support = 240.1:
      O   HN    LEU   63 - HA    LEU   63   2.80 +/- 0.03  99.980% * 99.6457% (1.00  10.0   7.42 240.08) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  12.91 +/- 0.87   0.011% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.83 +/- 1.77   0.006% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  19.76 +/- 1.09   0.001% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  17.71 +/- 1.48   0.002% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  20.93 +/- 1.20   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.76 +/- 1.13   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 12.1:
        T HA    PHE   60 - HB2   LEU   63   3.02 +/- 0.50  99.072% * 98.4768% (0.49 10.00   1.50  12.14) =  99.999%  kept
          HA    ALA  120 - HB2   LEU   63  10.46 +/- 1.39   0.219% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.69 +/- 0.26   0.498% *  0.0472% (0.18  1.00   0.02   1.53) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.16 +/- 0.87   0.072% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  11.03 +/- 0.95   0.060% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.57 +/- 0.94   0.051% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  15.63 +/- 1.15   0.008% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  14.21 +/- 1.46   0.015% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.72 +/- 0.86   0.003% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  19.15 +/- 1.08   0.002% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.27, residual support = 54.5:
          HN    ALA   64 - HB2   LEU   63   2.94 +/- 0.33 100.000% *100.0000% (0.57   7.27  54.52) = 100.000%  kept
    Distance limit 3.70 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 = 2.61, residual support = 15.7:
          QE    PHE   72 - HB2   LEU   63   5.35 +/- 0.86  98.707% * 99.3394% (0.99   2.61  15.69) =  99.995%  kept
          HN    ALA   47 - HB2   LEU   63  11.63 +/- 1.12   1.226% *  0.3446% (0.45   0.02   0.02) =   0.004%
          HD22  ASN   28 - HB2   LEU   63  18.46 +/- 1.37   0.067% *  0.3160% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 13 structures by 1.38 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.8, residual support = 240.1:
      O   HN    LEU   63 - HB2   LEU   63   2.09 +/- 0.07  99.991% * 99.6457% (1.00  10.0   7.80 240.08) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.05 +/- 0.96   0.005% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.20 +/- 1.65   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  17.24 +/- 1.33   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  15.71 +/- 1.48   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  19.13 +/- 1.45   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.20 +/- 1.16   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.4:
          HN    ASP-  62 - HB2   LEU   63   4.44 +/- 0.14  99.703% * 98.5492% (0.76   4.54  42.39) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.33 +/- 0.88   0.148% *  0.5094% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.09 +/- 0.85   0.104% *  0.2335% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.87 +/- 1.24   0.026% *  0.4744% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  18.84 +/- 1.08   0.018% *  0.2335% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.73, residual support = 54.5:
          HN    ALA   64 - HB3   LEU   63   3.46 +/- 0.54 100.000% *100.0000% (0.57   6.73  54.52) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 15.7:
        T HZ    PHE   72 - HB3   LEU   63   4.60 +/- 1.84  99.760% * 99.9822% (0.87 10.00   3.17  15.69) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.58 +/- 2.13   0.240% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 7 structures by 1.08 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.44, residual support = 240.1:
      O   HN    LEU   63 - HB3   LEU   63   3.37 +/- 0.10  99.904% * 99.6457% (1.00  10.0   7.44 240.08) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.46 +/- 1.07   0.044% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.83 +/- 1.68   0.027% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  15.57 +/- 1.93   0.014% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  17.73 +/- 1.71   0.006% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.04 +/- 1.92   0.004% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.45 +/- 1.70   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 7.38, residual support = 240.1:
          HN    LEU   63 - HG    LEU   63   3.21 +/- 0.33  98.650% * 98.9163% (0.76   7.38 240.08) =  99.999%  kept
          QE    PHE   60 - HG    LEU   63   7.39 +/- 1.05   1.248% *  0.0694% (0.20   0.02  12.14) =   0.001%
          HN    ILE   56 - HG    LEU   63  11.56 +/- 1.32   0.052% *  0.2270% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.96 +/- 2.06   0.034% *  0.0976% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  16.11 +/- 1.53   0.010% *  0.2682% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  19.73 +/- 1.43   0.003% *  0.3239% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  17.99 +/- 1.31   0.004% *  0.0976% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.37, residual support = 12.1:
        T HA    PHE   60 - QD1   LEU   63   2.62 +/- 0.48  97.790% * 88.3934% (0.14 10.00   3.37  12.14) =  99.989%  kept
          HA    ALA  120 - QD1   LEU   63   8.31 +/- 1.00   0.488% *  0.6178% (0.95  1.00   0.02   0.02) =   0.003%
          HA    LYS+  65 - QD1   LEU   63   8.07 +/- 0.64   0.364% *  0.3698% (0.57  1.00   0.02   1.53) =   0.002%
          HA    LYS+ 121 - QD1   LEU   63   8.76 +/- 0.92   0.208% *  0.6029% (0.92  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63   8.17 +/- 1.26   0.160% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD1   LEU   63   8.10 +/- 0.76   0.253% *  0.3962% (0.61  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   8.27 +/- 1.57   0.393% *  0.1476% (0.23  1.00   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU   63  12.74 +/- 1.86   0.074% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU   73  11.56 +/- 1.33   0.030% *  0.6303% (0.97  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  11.59 +/- 0.63   0.021% *  0.8839% (0.14 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.14 +/- 1.11   0.022% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  11.67 +/- 0.96   0.023% *  0.3698% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  11.90 +/- 0.84   0.017% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  11.56 +/- 1.55   0.040% *  0.1512% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  13.17 +/- 1.32   0.009% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  13.07 +/- 1.17   0.009% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.44 +/- 1.24   0.052% *  0.0970% (0.15  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.96 +/- 0.74   0.012% *  0.2164% (0.03 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.75 +/- 1.09   0.004% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  15.29 +/- 1.30   0.003% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.82 +/- 0.78   0.007% *  0.1543% (0.24  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  18.35 +/- 1.18   0.002% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  19.03 +/- 1.24   0.002% *  0.6178% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  13.82 +/- 1.62   0.008% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  17.82 +/- 1.16   0.002% *  0.3962% (0.61  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  20.04 +/- 1.12   0.001% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.86 +/- 1.17   0.004% *  0.0905% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.85 +/- 1.41   0.001% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  20.45 +/- 0.96   0.001% *  0.1595% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.30 +/- 0.93   0.000% *  0.1387% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 3.82, residual support = 28.7:
        T HZ3   TRP   27 - QD1   LEU   73   3.18 +/- 0.61  93.932% * 98.4449% (0.49 10.00   3.82  28.73) =  99.989%  kept
          HZ    PHE   45 - QD1   LEU   73   7.79 +/- 1.82   5.402% *  0.1469% (0.73  1.00   0.02   0.02) =   0.009%
        T HZ3   TRP   27 - QD1   LEU   63  10.71 +/- 0.75   0.113% *  0.9844% (0.49 10.00   0.02   0.02) =   0.001%
          HZ    PHE   45 - QD1   LEU   63   9.18 +/- 1.44   0.422% *  0.1469% (0.73  1.00   0.02   0.02) =   0.001%
        T HZ3   TRP   27 - QD1   LEU  104  11.56 +/- 1.06   0.075% *  0.2410% (0.12 10.00   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  12.28 +/- 1.35   0.056% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.722, support = 1.26, residual support = 7.48:
          QD    PHE   60 - QD1   LEU   63   4.06 +/- 0.71  29.904% * 42.6457% (0.87   1.54  12.14) =  57.340%  kept
          QE    PHE   59 - QD1   LEU   63   3.50 +/- 1.15  62.182% * 13.3358% (0.49   0.86   0.74) =  37.285%  kept
          HN    LYS+  66 - QD1   LEU   63   6.14 +/- 0.50   2.649% * 36.7498% (0.95   1.21   5.47) =   4.377%  kept
          HN    PHE   59 - QD1   LEU   63   5.71 +/- 0.87   4.855% *  4.5402% (0.18   0.81   0.74) =   0.991%  kept
          QD    PHE   60 - QD1   LEU   73   9.33 +/- 0.85   0.176% *  0.5553% (0.87   0.02   0.02) =   0.004%
          HN    LYS+  81 - QD1   LEU   73  10.31 +/- 1.04   0.072% *  0.3368% (0.53   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD1   LEU   73  12.79 +/- 0.77   0.021% *  0.6056% (0.95   0.02   0.02) =   0.001%
          QE    PHE   59 - QD1   LEU  104  10.55 +/- 1.42   0.068% *  0.0763% (0.12   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  13.26 +/- 1.49   0.015% *  0.3116% (0.49   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.87 +/- 0.91   0.023% *  0.1359% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  13.30 +/- 1.13   0.017% *  0.1482% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  15.45 +/- 1.26   0.007% *  0.3368% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.60 +/- 0.74   0.007% *  0.1121% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.95 +/- 0.93   0.005% *  0.0274% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  20.77 +/- 1.17   0.001% *  0.0824% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.761, support = 6.41, residual support = 235.1:
          HN    LEU   63 - QD1   LEU   63   3.40 +/- 0.46  83.178% * 71.7346% (0.76   6.51 240.08) =  97.854%  kept
          HD21  ASN   28 - QD1   LEU   73   6.00 +/- 0.35   3.630% * 20.6355% (0.92   1.55   0.93) =   1.229%  kept
          QE    PHE   60 - QD1   LEU   63   5.64 +/- 0.96   9.755% *  5.6794% (0.20   1.99  12.14) =   0.909%  kept
          HZ2   TRP   87 - QD1   LEU   73   7.84 +/- 2.92   1.556% *  0.2204% (0.76   0.02   0.02) =   0.006%
          HN    ILE   56 - QD1   LEU   63   8.99 +/- 1.33   0.365% *  0.1866% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.43 +/- 1.23   0.683% *  0.0571% (0.20   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   9.73 +/- 1.61   0.321% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73   9.79 +/- 0.94   0.212% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  12.34 +/- 1.35   0.061% *  0.2204% (0.76   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.37 +/- 0.60   0.042% *  0.2204% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.66 +/- 1.08   0.012% *  0.2663% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  13.31 +/- 1.76   0.043% *  0.0540% (0.19   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  13.84 +/- 1.41   0.029% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  13.02 +/- 0.81   0.035% *  0.0540% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  17.62 +/- 0.94   0.005% *  0.1866% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  16.63 +/- 1.35   0.009% *  0.0652% (0.23   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  13.59 +/- 1.51   0.040% *  0.0140% (0.05   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  19.12 +/- 1.55   0.004% *  0.0802% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.69 +/- 0.90   0.010% *  0.0196% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  18.63 +/- 0.96   0.004% *  0.0457% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.86 +/- 1.36   0.006% *  0.0196% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 20.9:
      O   HN    ALA   64 - HA    ALA   64   2.84 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.23  20.88) = 100.000%  kept
    Distance limit 3.49 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 = 0.655, support = 2.88, residual support = 31.0:
        T HZ    PHE   72 - HA    ALA   64   3.10 +/- 0.90  78.616% * 39.4733% (0.57 10.00   2.76  30.96) =  70.643%  kept
        T QD    PHE   72 - HA    ALA   64   4.10 +/- 0.36  21.323% * 60.4788% (0.87 10.00   3.18  30.96) =  29.357%  kept
          QE    PHE   45 - HA    ALA   64  10.33 +/- 0.76   0.061% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.87, support = 1.15, residual support = 5.04:
          HN    LEU   67 - HA    ALA   64   3.38 +/- 0.28  97.099% * 56.6280% (0.87   1.15   5.14) =  98.016%  kept
          QE    PHE   95 - HA    ALA   64   8.11 +/- 1.98   2.791% * 39.8591% (0.98   0.72   0.02) =   1.983%  kept
          HE3   TRP   27 - HA    ALA   64  11.95 +/- 0.84   0.059% *  0.6404% (0.57   0.02   0.02) =   0.001%
          HN    THR   23 - HA    ALA   64  15.64 +/- 0.91   0.011% *  1.1211% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  13.93 +/- 1.57   0.028% *  0.4245% (0.38   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  16.29 +/- 0.82   0.009% *  0.7318% (0.65   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  20.12 +/- 1.24   0.002% *  0.5951% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.832, support = 1.95, residual support = 7.25:
          QG2   VAL   18 - QB    ALA   64   2.31 +/- 0.50  98.194% * 55.3149% (0.84   1.94   7.28) =  99.343%  kept
          QD2   LEU   73 - QB    ALA   64   5.93 +/- 1.01   0.844% * 41.9375% (0.38   3.27   1.47) =   0.648%  kept
          QG1   VAL   43 - QB    ALA   64   6.74 +/- 0.37   0.328% *  0.6694% (0.98   0.02   0.02) =   0.004%
          QG2   THR   46 - QB    ALA   64   6.97 +/- 0.76   0.336% *  0.4959% (0.73   0.02   0.02) =   0.003%
          QG1   VAL   41 - QB    ALA   64   7.84 +/- 0.70   0.109% *  0.6769% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   19 - QB    ALA   64   7.52 +/- 0.55   0.127% *  0.2563% (0.38   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   9.24 +/- 0.62   0.045% *  0.1196% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  11.92 +/- 1.08   0.009% *  0.3593% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  11.87 +/- 1.02   0.009% *  0.1703% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.881, support = 1.48, residual support = 6.03:
          QB    ALA   61 - QB    ALA   64   4.13 +/- 0.28  43.588% * 16.4944% (0.92   1.22   7.24) =  44.099%  kept
          HB3   LEU   67 - QB    ALA   64   4.63 +/- 0.48  26.306% * 24.6407% (0.99   1.70   5.14) =  39.759%  kept
          HG    LEU   67 - QB    ALA   64   4.96 +/- 0.99  23.962% *  7.1550% (0.28   1.76   5.14) =  10.516%  kept
          QG    LYS+  66 - QB    ALA   64   6.66 +/- 0.52   2.624% * 18.7970% (0.98   1.31   7.34) =   3.026%  kept
          HG    LEU   73 - QB    ALA   64   7.55 +/- 0.70   1.350% * 24.2681% (0.87   1.91   1.47) =   2.009%  kept
          HG12  ILE   19 - QB    ALA   64   7.73 +/- 0.94   1.246% *  7.6485% (0.65   0.81   0.02) =   0.584%  kept
          HG    LEU   40 - QB    ALA   64   9.35 +/- 1.06   0.411% *  0.1097% (0.38   0.02   0.02) =   0.003%
          HG    LEU   80 - QB    ALA   64  11.46 +/- 1.39   0.116% *  0.2234% (0.76   0.02   0.02) =   0.002%
          HB3   LEU  115 - QB    ALA   64  11.08 +/- 1.07   0.137% *  0.1097% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - QB    ALA   64  12.78 +/- 0.81   0.054% *  0.2122% (0.73   0.02   0.02) =   0.001%
          HB2   LEU   80 - QB    ALA   64  11.61 +/- 0.97   0.102% *  0.0729% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  12.46 +/- 1.87   0.092% *  0.0451% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  16.81 +/- 1.15   0.010% *  0.2234% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.875, support = 2.19, residual support = 5.18:
          HB3   LEU   67 - HA    ALA   64   3.28 +/- 0.68  63.811% * 39.6521% (0.99   2.08   5.14) =  82.060%  kept
          HG    LEU   67 - HA    ALA   64   3.85 +/- 1.21  33.111% * 15.1121% (0.28   2.83   5.14) =  16.228%  kept
          QG    LYS+  66 - HA    ALA   64   6.79 +/- 0.45   1.092% * 30.4870% (0.98   1.62   7.34) =   1.080%  kept
          QB    ALA   61 - HA    ALA   64   6.51 +/- 0.22   1.509% * 12.8582% (0.92   0.73   7.24) =   0.629%  kept
          HG    LEU   40 - HA    ALA   64   9.57 +/- 1.06   0.210% *  0.1441% (0.38   0.02   0.02) =   0.001%
          HG12  ILE   19 - HA    ALA   64   9.94 +/- 1.21   0.117% *  0.2484% (0.65   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    ALA   64  10.18 +/- 0.99   0.070% *  0.3331% (0.87   0.02   1.47) =   0.001%
          HB3   LEU  115 - HA    ALA   64  13.28 +/- 1.41   0.020% *  0.1441% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  13.37 +/- 2.33   0.039% *  0.0593% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  15.50 +/- 1.75   0.007% *  0.2935% (0.76   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  15.77 +/- 0.94   0.006% *  0.2789% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.14 +/- 1.59   0.002% *  0.2935% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  15.66 +/- 1.29   0.006% *  0.0958% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.765, support = 2.58, residual support = 30.7:
        T HB3   PHE   72 - QB    ALA   64   5.31 +/- 0.81  13.034% * 99.3598% (0.76 10.00   2.60  30.96) =  99.251%  kept
          HB2   ASP-  44 - QB    ALA   64   3.62 +/- 0.64  85.697% *  0.1128% (0.87  1.00   0.02   0.02) =   0.741%  kept
          QG    GLU-  15 - QB    ALA   64  10.04 +/- 1.00   0.348% *  0.1230% (0.95  1.00   0.02   0.02) =   0.003%
          QG    GLU-  14 - QB    ALA   64  10.52 +/- 1.49   0.348% *  0.1086% (0.84  1.00   0.02   0.02) =   0.003%
          HG12  ILE  119 - QB    ALA   64   9.29 +/- 0.69   0.481% *  0.0443% (0.34  1.00   0.02   0.02) =   0.002%
          QG    GLN   90 - QB    ALA   64  14.00 +/- 1.42   0.038% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  17.02 +/- 1.95   0.019% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  15.44 +/- 1.00   0.019% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.27 +/- 1.21   0.016% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.18 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.58, residual support = 7.24:
        T HA    ALA   61 - QB    ALA   64   3.04 +/- 0.32  98.498% * 99.8142% (1.00 10.00   2.58   7.24) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   7.36 +/- 0.49   0.602% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QB    ALA   64   7.25 +/- 0.86   0.784% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QB    ALA   64   9.99 +/- 0.35   0.089% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  12.52 +/- 0.74   0.027% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 2.36, residual support = 7.28:
          HA    VAL   18 - QB    ALA   64   4.20 +/- 0.60  95.205% * 94.3543% (0.90   2.36   7.28) =  99.979%  kept
          HA    VAL   70 - QB    ALA   64   7.33 +/- 0.77   4.089% *  0.3670% (0.41   0.02   0.02) =   0.017%
          HA    SER   48 - QB    ALA   64  13.03 +/- 0.86   0.152% *  0.8445% (0.95   0.02   0.02) =   0.001%
          HA    GLN  116 - QB    ALA   64  12.13 +/- 0.89   0.226% *  0.3670% (0.41   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    ALA   64  14.23 +/- 0.73   0.077% *  0.6482% (0.73   0.02   0.02) =   0.001%
          HA    GLU-  29 - QB    ALA   64  14.93 +/- 0.91   0.061% *  0.7744% (0.87   0.02   0.02) =   0.001%
          HD2   PRO   52 - QB    ALA   64  14.70 +/- 0.97   0.074% *  0.4697% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  16.28 +/- 0.95   0.039% *  0.8445% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.27 +/- 0.72   0.050% *  0.6482% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  17.11 +/- 0.63   0.027% *  0.6822% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 4 structures by 0.62 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.681, support = 0.0198, residual support = 0.0198:
        T HA    GLN   17 - QB    ALA   64   5.53 +/- 1.29  69.463% * 20.8920% (0.49 10.00   0.02   0.02) =  58.944%  kept
        T HA    VAL   42 - QB    ALA   64   6.99 +/- 0.42  23.510% * 42.0713% (0.98 10.00   0.02   0.02) =  40.173%  kept
          HA    THR   46 - QB    ALA   64   8.93 +/- 0.63   5.802% *  1.7645% (0.41  1.00   0.02   0.02) =   0.416%
        T HA    PHE   55 - QB    ALA   64  14.38 +/- 0.75   0.333% * 29.4829% (0.69 10.00   0.02   0.02) =   0.399%
          HA    GLN   90 - QB    ALA   64  14.79 +/- 1.61   0.322% *  2.0892% (0.49  1.00   0.02   0.02) =   0.027%
          HA    ALA  110 - QB    ALA   64  14.55 +/- 1.82   0.345% *  1.6109% (0.38  1.00   0.02   0.02) =   0.023%
          HA    SER   37 - QB    ALA   64  14.97 +/- 0.70   0.224% *  2.0892% (0.49  1.00   0.02   0.02) =   0.019%
    Distance limit 4.00 A violated in 16 structures by 1.34 A, eliminated.
    Peak unassigned.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 7.28:
          HN    VAL   18 - QB    ALA   64   4.20 +/- 1.08  99.771% * 99.3980% (1.00   1.50   7.28) =  99.999%  kept
          HN    GLU-  29 - QB    ALA   64  14.02 +/- 0.84   0.158% *  0.2326% (0.18   0.02   0.02) =   0.000%
          HN    SER   13 - QB    ALA   64  14.90 +/- 1.70   0.071% *  0.3693% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 9 structures by 0.67 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.729, support = 4.42, residual support = 31.0:
        T QD    PHE   72 - QB    ALA   64   3.57 +/- 0.54  15.463% * 86.5561% (0.87 10.00   4.15  30.96) =  54.215%  kept
          HZ    PHE   72 - QB    ALA   64   2.18 +/- 0.67  84.508% * 13.3753% (0.57  1.00   4.74  30.96) =  45.785%  kept
          QE    PHE   45 - QB    ALA   64   8.00 +/- 0.50   0.029% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.23, residual support = 20.9:
      O   HN    ALA   64 - QB    ALA   64   2.04 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.23  20.88) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 162.6:
      O   HN    LYS+  65 - HA    LYS+  65   2.83 +/- 0.05  99.993% * 99.9887% (0.71  10.0   6.08 162.61) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.44 +/- 1.12   0.007% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.684, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65  10.46 +/- 1.63  22.781% * 34.8898% (0.87   0.02   0.02) =  74.764%  kept
          HN    SER  117 - HA    LYS+ 121   8.12 +/- 0.45  75.747% *  3.1809% (0.08   0.02   0.02) =  22.664%  kept
          HN    SER  117 - HA    LYS+  65  17.69 +/- 0.69   0.725% * 28.1870% (0.71   0.02   0.02) =   1.923%  kept
          HN    SER   82 - HA    LYS+  65  22.52 +/- 0.84   0.175% * 26.7825% (0.67   0.02   0.02) =   0.441%
          HN    GLY   16 - HA    LYS+ 121  19.09 +/- 1.44   0.530% *  3.9373% (0.10   0.02   0.02) =   0.196%
          HN    SER   82 - HA    LYS+ 121  28.52 +/- 1.00   0.042% *  3.0224% (0.08   0.02   0.02) =   0.012%
    Distance limit 3.40 A violated in 20 structures by 4.32 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.73, residual support = 27.9:
          HN    LYS+  65 - QB    ALA   64   2.78 +/- 0.20 100.000% *100.0000% (0.31   4.73  27.90) = 100.000%  kept
    Distance limit 3.28 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 = 3.64, residual support = 31.0:
          QE    PHE   72 - HA    ALA   64   2.38 +/- 0.56  99.998% * 99.2682% (0.65   3.64  30.96) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  16.65 +/- 0.86   0.002% *  0.7318% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2801 (4.21, 1.80, 33.13 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 1.76, residual support = 3.77:
          HA    ASP-  62 - QB    LYS+  65   2.22 +/- 0.41  99.995% * 97.7960% (0.80   1.76   3.77) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.73 +/- 0.77   0.004% *  0.3086% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  17.82 +/- 1.31   0.001% *  0.7848% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  22.34 +/- 0.55   0.000% *  0.8967% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  21.37 +/- 0.86   0.000% *  0.2139% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.6, residual support = 162.6:
      O   HN    LYS+  65 - QB    LYS+  65   2.26 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.60 162.61) = 100.000%  kept
    Distance limit 2.82 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 = 5.86, residual support = 25.2:
          HN    LYS+  66 - QB    LYS+  65   2.85 +/- 0.16  99.380% * 98.6898% (0.53   5.86  25.22) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.15 +/- 0.54   0.465% *  0.6179% (0.97   0.02   0.10) =   0.003%
          QE    PHE   59 - QB    LYS+  65   8.81 +/- 0.87   0.153% *  0.0866% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  19.26 +/- 0.85   0.001% *  0.6057% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.42, residual support = 162.6:
          HN    LYS+  65 - HG2   LYS+  65   2.97 +/- 0.41 100.000% *100.0000% (0.31   5.42 162.61) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 162.6:
      O T HA    LYS+  65 - HG3   LYS+  65   3.20 +/- 0.47  96.840% * 93.4743% (0.87  10.0 10.00   5.27 162.61) =  99.981%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.38 +/- 0.78   2.580% *  0.6392% (0.59   1.0 10.00   0.02  12.61) =   0.018%
        T HA    GLN   32 - HG3   LYS+ 102  13.88 +/- 2.77   0.073% *  0.6024% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  11.88 +/- 1.84   0.083% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.00 +/- 1.82   0.007% *  0.8072% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  65  12.25 +/- 2.11   0.053% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.09 +/- 1.31   0.050% *  0.0612% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.92 +/- 1.12   0.176% *  0.0079% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  18.89 +/- 1.81   0.003% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.52 +/- 1.32   0.003% *  0.3923% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  16.98 +/- 1.44   0.007% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.34 +/- 1.28   0.003% *  0.3107% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.72 +/- 1.56   0.018% *  0.0483% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.16 +/- 1.29   0.001% *  0.7402% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  23.56 +/- 1.35   0.001% *  0.7607% (0.71   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.74 +/- 1.83   0.005% *  0.1187% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  14.66 +/- 1.67   0.016% *  0.0293% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  18.22 +/- 1.75   0.005% *  0.0935% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  16.43 +/- 2.16   0.010% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  16.08 +/- 1.44   0.009% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.02 +/- 1.21   0.012% *  0.0203% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  16.57 +/- 1.99   0.009% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.59 +/- 2.12   0.003% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  16.40 +/- 1.41   0.009% *  0.0189% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.25 +/- 1.74   0.001% *  0.1259% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  20.13 +/- 2.57   0.002% *  0.0567% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  20.90 +/- 1.47   0.002% *  0.0745% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  21.42 +/- 2.21   0.002% *  0.0702% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  22.36 +/- 1.29   0.001% *  0.0863% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.22 +/- 1.78   0.002% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.66 +/- 1.81   0.001% *  0.0393% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  24.42 +/- 1.71   0.001% *  0.0697% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.54 +/- 1.31   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.44 +/- 1.26   0.001% *  0.0602% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.79 +/- 1.88   0.001% *  0.0417% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.41 +/- 1.32   0.003% *  0.0113% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.26 +/- 1.31   0.002% *  0.0186% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.22 +/- 0.99   0.002% *  0.0163% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.52 +/- 1.56   0.000% *  0.0807% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  25.87 +/- 1.20   0.000% *  0.0383% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.81 +/- 1.23   0.001% *  0.0232% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.18 +/- 1.39   0.000% *  0.0761% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  26.20 +/- 1.50   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.05 +/- 1.41   0.000% *  0.0361% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.67, residual support = 21.5:
          HN    ASP- 105 - HG3   LYS+ 106   4.13 +/- 0.26  99.072% * 91.1222% (0.34   2.67  21.49) =  99.988%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.89 +/- 1.05   0.721% *  1.3223% (0.65   0.02   0.02) =   0.011%
          HN    ALA   88 - HG3   LYS+ 106  13.59 +/- 1.64   0.107% *  0.4822% (0.24   0.02   0.02) =   0.001%
          HN    ASP- 105 - HG3   LYS+  65  18.38 +/- 0.97   0.014% *  1.6248% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.56 +/- 1.10   0.014% *  1.4031% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.37 +/- 2.46   0.017% *  0.9349% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.31 +/- 1.43   0.031% *  0.3131% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.42 +/- 1.37   0.005% *  0.9921% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  23.53 +/- 1.44   0.003% *  1.1488% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.88 +/- 1.40   0.014% *  0.1314% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.16 +/- 1.39   0.001% *  0.2548% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  30.17 +/- 1.08   0.001% *  0.2704% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.07, residual support = 112.2:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.03  99.812% * 99.6126% (0.53  10.0   5.07 112.19) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.60 +/- 0.40   0.042% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66   9.96 +/- 1.91   0.146% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  24.58 +/- 0.72   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.05, residual support = 112.2:
      O   HN    LYS+  66 - QB    LYS+  66   2.28 +/- 0.12  98.756% * 99.6126% (0.53  10.0   5.05 112.19) = 100.000%  kept
          QE    PHE   59 - QB    LYS+  66   6.86 +/- 1.91   1.201% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - QB    LYS+  66   8.38 +/- 0.38   0.042% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  21.27 +/- 0.51   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.52, support = 4.51, residual support = 110.9:
          HN    LYS+  66 - QG    LYS+  66   3.35 +/- 0.70  77.751% * 93.4336% (0.53   4.53 112.19) =  98.726%  kept
          HN    LYS+  66 - HG    LEU   67   5.23 +/- 1.24  19.291% *  4.8391% (0.04   3.05  10.78) =   1.269%  kept
          QE    PHE   59 - QG    LYS+  66   7.61 +/- 2.00   2.175% *  0.1061% (0.14   0.02   0.02) =   0.003%
          QD    PHE   60 - QG    LYS+  66   9.30 +/- 0.83   0.180% *  0.7564% (0.97   0.02   0.02) =   0.002%
          QD    PHE   60 - HG    LEU   67   9.64 +/- 1.35   0.242% *  0.0582% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   9.85 +/- 2.24   0.359% *  0.0082% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  22.31 +/- 0.89   0.001% *  0.7414% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  21.80 +/- 1.69   0.001% *  0.0571% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.75, residual support = 112.2:
          HN    LYS+  66 - QD    LYS+  66   4.00 +/- 0.56  89.349% * 98.1398% (0.53   4.75 112.19) =  99.991%  kept
          QE    PHE   59 - QD    LYS+  66   8.69 +/- 2.05   3.407% *  0.1064% (0.14   0.02   0.02) =   0.004%
          QD    PHE   60 - QD    LYS+  66  10.06 +/- 0.80   0.372% *  0.7587% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - HD2   LYS+ 121   7.11 +/- 1.51   6.350% *  0.0132% (0.02   0.02   0.02) =   0.001%
          QD    PHE   60 - HD2   LYS+ 121  12.78 +/- 1.65   0.321% *  0.0943% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  12.43 +/- 1.86   0.198% *  0.0514% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  23.10 +/- 0.93   0.003% *  0.7437% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  25.87 +/- 1.21   0.001% *  0.0925% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.476, support = 3.2, residual support = 58.8:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  90.422% * 46.3097% (0.47  10.0 10.00   2.97  58.76) =  89.458%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.63 +/- 0.28   9.492% * 51.9824% (0.53  10.0  1.00   5.11  58.76) =  10.542%  kept
        T HG    LEU   40 - HB2   LEU   67   8.55 +/- 1.72   0.015% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   6.24 +/- 0.58   0.054% *  0.0598% (0.61   1.0  1.00   0.02  10.78) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.26 +/- 0.79   0.010% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.12 +/- 1.43   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.74 +/- 1.76   0.001% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.59 +/- 1.78   0.000% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.50 +/- 1.83   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.99 +/- 1.49   0.002% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  18.66 +/- 2.40   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  16.75 +/- 1.11   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  17.61 +/- 2.33   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.25, residual support = 58.8:
      O T QD1   LEU   67 - HB2   LEU   67   2.35 +/- 0.25  98.894% * 98.6993% (0.70  10.0 10.00   3.25  58.76) =  99.992%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.44 +/- 1.49   0.767% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.008%
          QD2   LEU   71 - HB2   LEU   67   7.33 +/- 1.56   0.294% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  10.79 +/- 2.15   0.021% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  10.64 +/- 1.62   0.015% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.27 +/- 1.54   0.005% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  13.72 +/- 1.48   0.004% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 58.8:
          HA    LEU   67 - QD2   LEU   67   2.75 +/- 0.65  99.981% * 98.8214% (0.53   2.76  58.76) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  13.39 +/- 1.27   0.019% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.06, residual support = 58.8:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  99.495% * 96.8242% (0.73  10.0  1.00   3.06  58.76) =  99.998%  kept
        T HG    LEU   40 - QD1   LEU   67   7.39 +/- 1.89   0.214% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HB2   LYS+  74 - QD1   LEU   67   8.23 +/- 2.27   0.077% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD1   LEU   67   7.00 +/- 1.54   0.143% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.01 +/- 2.16   0.033% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  12.83 +/- 2.52   0.004% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67  10.48 +/- 2.16   0.017% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.26 +/- 2.33   0.006% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  10.66 +/- 1.77   0.009% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.42 +/- 2.78   0.001% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 58.8:
      O T HB2   LEU   67 - QD1   LEU   67   2.35 +/- 0.25  98.158% * 98.3333% (0.31  10.0 10.00   3.25  58.76) =  99.997%  kept
          HB2   GLN   17 - QD1   LEU   67   6.40 +/- 2.22   1.324% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   LEU   67   6.98 +/- 0.75   0.271% *  0.2941% (0.92   1.0  1.00   0.02  18.13) =   0.001%
          HB    ILE   19 - QD1   LEU   67   8.19 +/- 2.04   0.144% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   LEU   67   8.73 +/- 1.69   0.082% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  12.87 +/- 2.32   0.008% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  13.24 +/- 2.17   0.007% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.21 +/- 0.90   0.005% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  17.79 +/- 2.02   0.001% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  17.01 +/- 2.19   0.001% *  0.0709% (0.22   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 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.17, residual support = 58.8:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  94.796% * 99.2738% (0.87  10.0  1.00   3.17  58.76) =  99.997%  kept
        T QD1   LEU   40 - HG    LEU   67   6.50 +/- 1.49   0.451% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.003%
          QG2   ILE  119 - QG    LYS+  66   4.58 +/- 1.47   4.215% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG    LYS+  66   5.64 +/- 0.85   0.424% *  0.0076% (0.07   1.0  1.00   0.02  10.78) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.73 +/- 2.02   0.092% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.95 +/- 1.10   0.022% *  0.0053% (0.05   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 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.615, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - QD1   LEU   67  11.73 +/- 1.43  16.400% * 52.9912% (0.98   0.02   0.02) =  39.916%  kept
          QD1   LEU  104 - QD1   LEU   67   9.08 +/- 2.17  70.438% * 12.0360% (0.22   0.02   0.02) =  38.940%  kept
          QG1   VAL   83 - QD1   LEU   67  12.33 +/- 1.93  13.162% * 34.9728% (0.65   0.02   0.02) =  21.143%  kept
    Distance limit 3.10 A violated in 20 structures by 5.34 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.765, support = 2.97, residual support = 32.2:
        T HZ    PHE   72 - QD1   LEU   67   4.05 +/- 1.64  35.940% * 75.7718% (0.97 10.00   3.80  32.17) =  63.857%  kept
        T QD    PHE   72 - QD1   LEU   67   3.56 +/- 1.63  63.669% * 24.2087% (0.41 10.00   1.50  32.17) =  36.143%  kept
          QE    PHE   45 - QD1   LEU   67   9.23 +/- 1.82   0.391% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 1 structures by 0.34 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.08, residual support = 32.2:
          QE    PHE   72 - QD1   LEU   67   2.80 +/- 1.52  97.880% * 99.2675% (0.80   4.08  32.17) =  99.996%  kept
          QD    PHE   95 - QD1   LEU   67   7.74 +/- 2.37   2.032% *  0.1875% (0.31   0.02   0.02) =   0.004%
          HN    ALA   47 - QD1   LEU   67  13.70 +/- 1.19   0.089% *  0.5449% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
        T HA    LEU  115 - HG    LEU   67  14.09 +/- 2.49   7.068% * 15.7849% (0.20 10.00   0.02   0.02) =  40.751%  kept
          HA    ALA  124 - HG    LEU   67  13.14 +/- 2.50  11.031% *  6.6623% (0.84  1.00   0.02   0.02) =  26.843%  kept
        T HA    ARG+  54 - HG    LEU   67  19.77 +/- 1.49   0.788% * 57.9196% (0.73 10.00   0.02   0.02) =  16.663%  kept
          HA    ALA  124 - QG    LYS+  66   9.87 +/- 2.31  48.564% *  0.5129% (0.06  1.00   0.02   0.02) =   9.097%  kept
          HA    GLU-  36 - HG    LEU   67  19.22 +/- 1.80   0.891% *  7.5452% (0.95  1.00   0.02   0.02) =   2.455%  kept
          HA    LYS+  81 - HG    LEU   67  21.42 +/- 1.61   0.491% *  7.9057% (0.99  1.00   0.02   0.02) =   1.419%  kept
          HA    LEU  115 - QG    LYS+  66  11.19 +/- 1.78  24.574% *  0.1215% (0.02  1.00   0.02   0.02) =   1.091%  kept
          HA    ASN   28 - HG    LEU   67  18.15 +/- 1.96   1.277% *  1.7758% (0.22  1.00   0.02   0.02) =   0.828%  kept
          HA    ARG+  54 - QG    LYS+  66  15.28 +/- 1.53   4.056% *  0.4459% (0.06  1.00   0.02   0.02) =   0.660%  kept
          HA    LYS+  81 - QG    LYS+  66  21.74 +/- 0.87   0.440% *  0.6086% (0.08  1.00   0.02   0.02) =   0.098%
          HA    GLU-  36 - QG    LYS+  66  22.47 +/- 1.24   0.332% *  0.5808% (0.07  1.00   0.02   0.02) =   0.071%
          HA    ASN   28 - QG    LYS+  66  21.15 +/- 0.91   0.487% *  0.1367% (0.02  1.00   0.02   0.02) =   0.024%
    Distance limit 3.89 A violated in 20 structures by 4.37 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.8, residual support = 58.8:
      O   HA    LEU   67 - HG    LEU   67   3.41 +/- 0.44  87.501% * 99.3233% (0.15  10.0   3.80  58.76) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.32 +/- 0.78  12.467% *  0.0076% (0.01   1.0   0.02  10.78) =   0.001%
          HA    ASP-  76 - HG    LEU   67  15.03 +/- 1.72   0.020% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  15.48 +/- 0.84   0.013% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  10.06 +/- 3.25  28.359% * 11.5851% (0.38   0.02   0.02) =  58.611%  kept
          QD    PHE   60 - HG    LEU   67   9.64 +/- 1.35  19.437% *  5.4059% (0.18   0.02   0.02) =  18.745%  kept
          HE3   TRP   27 - HG    LEU   67  13.94 +/- 1.85   2.760% * 26.7757% (0.87   0.02   0.02) =  13.181%  kept
          QE    PHE   95 - QG    LYS+  66   9.55 +/- 1.37  18.464% *  0.8918% (0.03   0.02   0.02) =   2.938%  kept
          QD    PHE   55 - HG    LEU   67  17.97 +/- 1.86   0.452% * 24.7171% (0.80   0.02   0.02) =   1.995%  kept
          QD    PHE   60 - QG    LYS+  66   9.30 +/- 0.83  26.201% *  0.4162% (0.01   0.02   0.02) =   1.945%  kept
          HN    THR   23 - HG    LEU   67  18.03 +/- 1.81   0.548% * 10.5293% (0.34   0.02   0.02) =   1.030%  kept
          QD    PHE   55 - QG    LYS+  66  13.61 +/- 1.40   2.566% *  1.9027% (0.06   0.02   0.02) =   0.871%  kept
          HN    LYS+  81 - HG    LEU   67  21.80 +/- 1.69   0.151% * 13.8391% (0.45   0.02   0.02) =   0.373%
          HE3   TRP   27 - QG    LYS+  66  17.14 +/- 0.72   0.679% *  2.0612% (0.07   0.02   0.02) =   0.250%
          HN    THR   23 - QG    LYS+  66  19.94 +/- 0.74   0.250% *  0.8106% (0.03   0.02   0.02) =   0.036%
          HN    LYS+  81 - QG    LYS+  66  22.31 +/- 0.89   0.132% *  1.0653% (0.03   0.02   0.02) =   0.025%
    Distance limit 3.69 A violated in 19 structures by 3.30 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 = 58.8:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.913% * 95.9469% (0.29  10.0 10.00   2.97  58.76) = 100.000%  kept
          HG2   PRO   68 - HB3   LEU   67   6.45 +/- 0.49   0.050% *  0.2870% (0.87   1.0  1.00   0.02  18.13) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.50 +/- 1.23   0.003% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67   7.99 +/- 1.31   0.031% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LEU   67  10.11 +/- 1.06   0.003% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  15.36 +/- 1.45   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.85 +/- 1.52   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.03 +/- 0.97   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  22.24 +/- 1.49   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.36 +/- 1.76   0.000% *  0.0692% (0.21   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 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  14.81 +/- 1.21 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.59 A violated in 20 structures by 11.21 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.07, residual support = 58.8:
      O   HN    LEU   67 - HB3   LEU   67   3.21 +/- 0.56  99.205% * 99.4441% (0.54  10.0   4.07  58.76) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67   9.58 +/- 2.28   0.768% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  16.01 +/- 1.94   0.013% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.02 +/- 2.04   0.006% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  17.55 +/- 1.38   0.006% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  22.88 +/- 1.40   0.001% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 58.8:
      O   HA    LEU   67 - HB2   LEU   67   2.62 +/- 0.23  99.995% * 99.8354% (0.38  10.0   5.08  58.76) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  14.38 +/- 1.64   0.005% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 3.06, residual support = 32.2:
          QE    PHE   72 - HB2   LEU   67   3.29 +/- 1.49  98.822% * 99.0254% (0.58   3.06  32.17) =  99.997%  kept
          QD    PHE   95 - HB2   LEU   67   9.29 +/- 1.50   1.131% *  0.2495% (0.22   0.02   0.02) =   0.003%
          HN    ALA   47 - HB2   LEU   67  16.66 +/- 1.13   0.047% *  0.7250% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 3 structures by 0.45 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.85, residual support = 58.8:
      O   HN    LEU   67 - HB2   LEU   67   2.66 +/- 0.50  99.606% * 99.6033% (0.70  10.0   4.85  58.76) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67   9.11 +/- 2.47   0.377% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  15.97 +/- 2.14   0.003% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  13.43 +/- 1.50   0.009% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  17.62 +/- 1.58   0.002% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.77 +/- 2.23   0.002% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.29 +/- 1.39   0.002% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  22.26 +/- 1.59   0.000% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 32.2:
        T HZ    PHE   72 - HB2   LEU   67   5.05 +/- 1.64  99.677% * 99.9822% (0.63 10.00   2.96  32.17) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.16 +/- 1.69   0.323% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 7 structures by 1.17 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.557, support = 4.0, residual support = 64.7:
      O T HA    VAL   24 - HB    VAL   24   2.68 +/- 0.31  88.969% * 82.3820% (0.57  10.0 10.00   3.97  65.39) =  97.594%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.88 +/- 0.07  11.027% * 16.3856% (0.11  10.0  1.00   5.47  35.44) =   2.406%  kept
          HA    LYS+  38 - HB2   PRO   68  15.70 +/- 1.04   0.003% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.86 +/- 1.02   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.67 +/- 0.72   0.000% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.90 +/- 1.69   0.000% *  0.0133% (0.09   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 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.27, residual support = 65.4:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.988% * 98.0584% (0.63  10.0 10.00   3.27  65.39) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  12.12 +/- 0.56   0.003% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  13.72 +/- 1.86   0.002% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.23 +/- 0.51   0.005% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.16 +/- 1.08   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  14.71 +/- 1.21   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.36 +/- 1.99   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.10 +/- 1.40   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  20.09 +/- 1.21   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.68 +/- 1.83   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.08 +/- 1.82   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  30.29 +/- 2.27   0.000% *  0.1041% (0.67   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 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.335, support = 5.82, residual support = 31.8:
      O   HN    ASN   69 - HB2   PRO   68   3.65 +/- 0.54  41.062% * 70.3276% (0.34  10.0   5.85  30.55) =  73.111%  kept
          HN    GLU-  25 - HB    VAL   24   3.46 +/- 0.67  56.478% * 18.3385% (0.31   1.0   5.87  35.71) =  26.221%  kept
          HN    ASN   28 - HB    VAL   24   5.85 +/- 0.23   2.424% * 10.8838% (0.66   1.0   1.62  11.28) =   0.668%  kept
          HN    ASP-  44 - HB    VAL   24  13.33 +/- 1.25   0.025% *  0.0678% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  14.94 +/- 0.50   0.009% *  0.0833% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.98 +/- 1.16   0.001% *  0.1651% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.63 +/- 1.07   0.001% *  0.0573% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.34 +/- 1.25   0.000% *  0.0767% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.4:
      O   HN    VAL   24 - HB    VAL   24   2.42 +/- 0.25 100.000% * 99.8774% (0.33  10.0   4.68  65.39) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.94 +/- 1.19   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.03, residual support = 35.4:
      O   HD3   PRO   68 - HG2   PRO   68   2.57 +/- 0.30  99.994% * 99.5120% (0.57  10.0   3.03  35.44) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  14.58 +/- 1.32   0.004% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.10 +/- 1.48   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  21.75 +/- 1.30   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  22.74 +/- 1.14   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  26.14 +/- 1.71   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.91, residual support = 35.4:
      O   HD2   PRO   68 - HG2   PRO   68   2.61 +/- 0.28  99.985% * 99.8205% (0.63  10.0   2.91  35.44) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  12.66 +/- 0.98   0.011% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.20 +/- 1.98   0.002% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.24 +/- 1.32   0.002% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  23.41 +/- 1.08   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.727, support = 4.77, residual support = 60.1:
      O   HD3   PRO   68 - HG3   PRO   68   2.64 +/- 0.30  52.890% * 72.5961% (0.84  10.0  1.00   4.76  35.44) =  80.971%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.79 +/- 0.24  37.840% * 23.1409% (0.27  10.0 10.00   4.84 170.24) =  18.466%  kept
          QB    PHE   55 - HG2   ARG+  54   4.97 +/- 1.62   8.736% *  3.0530% (0.20   1.0  1.00   3.44   3.13) =   0.562%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.11 +/- 0.65   0.476% *  0.0227% (0.26   1.0  1.00   0.02  31.95) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.75 +/- 2.07   0.041% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.01 +/- 1.33   0.015% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  14.59 +/- 1.50   0.002% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  26.20 +/- 1.93   0.000% *  0.8672% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  20.10 +/- 1.55   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  21.87 +/- 1.39   0.000% *  0.0852% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  22.77 +/- 1.28   0.000% *  0.0754% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.42 +/- 1.29   0.000% *  0.0194% (0.22   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 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 35.4:
      O   HD2   PRO   68 - HG3   PRO   68   2.55 +/- 0.28  99.788% * 99.5569% (0.92  10.0  1.00   4.63  35.44) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.81 +/- 0.86   0.009% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   7.94 +/- 1.17   0.193% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.22 +/- 1.61   0.002% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  14.41 +/- 1.39   0.005% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.28 +/- 1.52   0.002% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  23.64 +/- 0.92   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.30 +/- 1.29   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  24.57 +/- 1.72   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  33.20 +/- 1.02   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2840 (3.33, 3.75, 50.60 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.13, residual support = 35.4:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.751% * 98.5022% (0.98  10.0 10.00   5.13  35.44) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   3.94 +/- 0.52   1.005% *  0.0070% (0.07   1.0  1.00   0.02  40.68) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.08 +/- 1.51   0.131% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.83 +/- 0.86   0.101% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58   9.78 +/- 1.47   0.005% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.35 +/- 1.08   0.001% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.39 +/- 1.44   0.007% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  21.18 +/- 1.09   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.23 +/- 1.08   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.02 +/- 1.30   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  20.32 +/- 1.16   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  25.01 +/- 1.53   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.13, residual support = 35.4:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.992% * 99.4504% (0.92  10.0 10.00   5.13  35.44) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.45 +/- 0.80   0.002% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93   9.78 +/- 1.47   0.005% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.23 +/- 1.08   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  21.18 +/- 1.09   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.30 +/- 0.79   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.52 +/- 1.17   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  21.96 +/- 0.92   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  20.56 +/- 1.03   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.99 +/- 0.53   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.97, residual support = 18.1:
      O   HA    LEU   67 - HD3   PRO   68   2.37 +/- 0.28  99.993% * 99.7870% (0.53  10.0   4.97  18.13) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  12.69 +/- 1.55   0.005% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  17.78 +/- 1.01   0.001% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  19.75 +/- 0.91   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.1:
      O   HA    LEU   67 - HD2   PRO   68   2.37 +/- 0.20  99.993% * 99.8155% (0.53  10.0   4.53  18.13) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  18.08 +/- 0.99   0.001% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  13.05 +/- 1.08   0.004% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  14.75 +/- 0.64   0.002% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.1:
      O   HD21  ASN   69 - HB2   ASN   69   3.30 +/- 0.44  99.386% * 99.5864% (0.65  10.0   3.63  61.12) =  99.999%  kept
          HN    GLN   17 - HB2   ASN   69   9.25 +/- 1.40   0.600% *  0.1286% (0.84   1.0   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASN   69  16.68 +/- 1.35   0.011% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  22.39 +/- 2.37   0.001% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  24.79 +/- 1.37   0.001% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  26.63 +/- 1.38   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 5.37, residual support = 61.1:
      O   HN    ASN   69 - HB2   ASN   69   3.38 +/- 0.58  99.947% * 99.9414% (0.97  10.0   5.37  61.12) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  13.41 +/- 1.42   0.051% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  21.49 +/- 0.80   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 61.1:
      O   HD21  ASN   69 - HB3   ASN   69   2.76 +/- 0.47  99.844% * 99.7810% (0.99  10.0   3.59  61.12) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69   9.23 +/- 1.47   0.155% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  24.29 +/- 1.54   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  21.92 +/- 2.38   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 61.1:
      O   HN    ASN   69 - HB3   ASN   69   3.15 +/- 0.49  99.965% * 99.9414% (0.97  10.0   4.86  61.12) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  13.19 +/- 1.57   0.034% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.17 +/- 1.03   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.1:
          HD21  ASN   69 - HA    ASN   69   3.31 +/- 0.62  96.731% * 90.6547% (0.20   3.39  61.12) =  99.965%  kept
          HN    GLN   17 - HA    ASN   69   7.18 +/- 1.32   3.250% *  0.9221% (0.34   0.02   0.02) =   0.034%
          HN    ALA   61 - HA    ASN   69  15.83 +/- 1.01   0.013% *  2.1646% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  22.19 +/- 2.07   0.002% *  2.6793% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  20.02 +/- 0.83   0.003% *  1.0145% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  26.30 +/- 0.96   0.001% *  1.9629% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  24.35 +/- 1.21   0.001% *  0.6018% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 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  14.47 +/- 0.98 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.53 A violated in 20 structures by 10.95 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.335, support = 0.0199, residual support = 0.0199:
          QG2   THR   77 - HA    SER   48   6.12 +/- 1.19  57.977% *  1.9923% (0.23  1.00   0.02   0.02) =  38.230%  kept
        T QB    ALA   88 - HB2   SER   82  10.79 +/- 0.22   1.827% * 37.0886% (0.42 10.00   0.02   0.02) =  22.430%  kept
          HG2   LYS+  99 - HA    VAL   70   7.71 +/- 0.98  17.836% *  3.6274% (0.41  1.00   0.02   0.02) =  21.413%  kept
          QG2   THR   77 - HB2   SER   82   9.34 +/- 0.87   5.451% *  4.2379% (0.48  1.00   0.02   0.02) =   7.646%  kept
          QG2   THR   23 - HB2   SER   82   8.33 +/- 1.44  12.751% *  0.9519% (0.11  1.00   0.02   0.02) =   4.017%  kept
          HG2   LYS+  38 - HA    VAL   70  11.36 +/- 1.02   1.815% *  4.6421% (0.53  1.00   0.02   0.02) =   2.789%  kept
        T QB    ALA   88 - HA    SER   48  14.29 +/- 2.03   0.398% * 17.4364% (0.20 10.00   0.02   0.02) =   2.299%  kept
          QG2   THR   77 - HA    VAL   70  15.77 +/- 0.73   0.195% *  8.7452% (0.99  1.00   0.02   0.02) =   0.565%  kept
          HB2   LEU   31 - HA    VAL   70  13.96 +/- 0.94   0.459% *  1.3614% (0.15  1.00   0.02   0.02) =   0.207%
          QB    ALA   88 - HA    VAL   70  19.83 +/- 1.21   0.053% *  7.6536% (0.87  1.00   0.02   0.02) =   0.133%
          QG2   THR   23 - HA    SER   48  13.53 +/- 1.37   0.636% *  0.4475% (0.05  1.00   0.02   0.02) =   0.094%
          HB2   LEU   31 - HB2   SER   82  14.78 +/- 1.65   0.396% *  0.6597% (0.07  1.00   0.02   0.02) =   0.087%
          QG2   THR   23 - HA    VAL   70  18.21 +/- 0.45   0.081% *  1.9644% (0.22  1.00   0.02   0.02) =   0.053%
          HG2   LYS+ 111 - HA    VAL   70  23.49 +/- 2.42   0.019% *  1.7461% (0.20  1.00   0.02   0.02) =   0.011%
          HG2   LYS+  38 - HB2   SER   82  25.91 +/- 2.24   0.012% *  2.2495% (0.25  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HB2   SER   82  25.77 +/- 1.66   0.011% *  1.7578% (0.20  1.00   0.02   0.02) =   0.007%
          HG2   LYS+ 111 - HA    SER   48  20.31 +/- 1.81   0.045% *  0.3978% (0.05  1.00   0.02   0.02) =   0.006%
          HG2   LYS+ 111 - HB2   SER   82  26.16 +/- 1.93   0.010% *  0.8462% (0.10  1.00   0.02   0.02) =   0.003%
          HB2   LEU   31 - HA    SER   48  23.10 +/- 1.23   0.021% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.23 +/- 0.74   0.006% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  31.29 +/- 1.08   0.003% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 18 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.16, residual support = 31.1:
      O   HN    LEU   71 - HA    VAL   70   2.20 +/- 0.02  99.988% * 99.7573% (0.87  10.0   5.16  31.09) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  10.69 +/- 1.23   0.010% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  20.67 +/- 1.29   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.66 +/- 0.41   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.36 +/- 1.65   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  18.73 +/- 1.25   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.72 +/- 1.42   0.000% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.79 +/- 0.99   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.24 +/- 0.73   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.06 +/- 1.15   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.22 +/- 1.04   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  27.47 +/- 1.34   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.525, support = 4.17, residual support = 47.6:
          QD    PHE   72 - HB    VAL   70   3.10 +/- 0.68  91.029% *  6.0792% (0.31  1.00   4.28  47.96) =  67.827%  kept
        T HZ    PHE   72 - HB    VAL   70   5.77 +/- 0.57   2.796% * 91.7907% (1.00 10.00   4.03  47.96) =  31.458%  kept
        T HZ    PHE   72 - QG    GLN   17   8.18 +/- 1.86   2.762% *  2.1057% (0.19 10.00   0.25   0.02) =   0.713%  kept
          QD    PHE   72 - QG    GLN   17   6.74 +/- 0.87   3.307% *  0.0053% (0.06  1.00   0.02   0.02) =   0.002%
          QE    PHE   45 - HB    VAL   70  10.96 +/- 0.69   0.071% *  0.0161% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  13.39 +/- 1.40   0.036% *  0.0030% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.03, residual support = 48.0:
          QE    PHE   72 - HB    VAL   70   3.47 +/- 0.61  89.401% * 99.0765% (0.73   5.03  47.96) =  99.991%  kept
          QE    PHE   72 - QG    GLN   17   6.86 +/- 1.57  10.071% *  0.0732% (0.13   0.02   0.02) =   0.008%
          QD    PHE   95 - HB    VAL   70   9.26 +/- 1.25   0.429% *  0.2037% (0.38   0.02   0.02) =   0.001%
          QD    PHE   95 - QG    GLN   17  12.89 +/- 1.65   0.082% *  0.0378% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  17.88 +/- 0.78   0.005% *  0.5134% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.11 +/- 1.89   0.012% *  0.0954% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 2 structures by 0.31 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 81.8:
      O   HN    VAL   70 - HB    VAL   70   2.67 +/- 0.27  99.496% * 99.9336% (0.76  10.0   4.63  81.79) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   7.39 +/- 1.38   0.501% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  18.69 +/- 0.76   0.001% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  16.34 +/- 1.58   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.1, residual support = 81.8:
          HN    VAL   70 - QG1   VAL   70   2.32 +/- 0.44  99.985% * 98.3670% (0.28   5.10  81.79) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  12.59 +/- 0.93   0.012% *  0.5211% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  16.39 +/- 1.25   0.003% *  1.1119% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.27, residual support = 1.44:
          HN    VAL   42 - QG2   VAL   70   2.25 +/- 0.67  98.618% * 49.0927% (0.35   1.27   1.45) =  99.161%  kept
          HN    LEU   73 - QG2   VAL   70   6.41 +/- 0.57   0.810% * 49.7524% (0.35   1.29   0.02) =   0.825%  kept
          HN    ILE   19 - QG2   VAL   70   7.30 +/- 0.77   0.572% *  1.1549% (0.52   0.02   0.02) =   0.014%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.449, support = 5.69, residual support = 36.6:
        T HG    LEU   40 - QG2   VAL   70   2.78 +/- 0.90  49.731% * 69.5263% (0.54 10.00   6.34  36.60) =  72.530%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.66 +/- 0.52  45.704% * 28.6467% (0.22 10.00   3.99  36.60) =  27.465%  kept
          HG    LEU   67 - QG2   VAL   70   5.35 +/- 1.37   2.488% *  0.0691% (0.53  1.00   0.02   0.02) =   0.004%
          HB3   LEU   67 - QG2   VAL   70   4.29 +/- 0.78   1.921% *  0.0194% (0.15  1.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - QG2   VAL   70   8.41 +/- 1.14   0.036% *  0.4508% (0.35 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  12.70 +/- 1.15   0.004% *  0.6953% (0.54 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.52 +/- 0.98   0.044% *  0.0312% (0.24  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.47 +/- 1.18   0.003% *  0.4508% (0.35 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.39 +/- 1.22   0.019% *  0.0451% (0.35  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.35 +/- 0.78   0.044% *  0.0122% (0.09  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.27 +/- 1.34   0.006% *  0.0533% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.428, support = 4.44, residual support = 48.0:
        T QD    PHE   72 - QG2   VAL   70   2.69 +/- 0.54  97.277% * 55.2900% (0.43 10.00   4.44  47.96) =  97.921%  kept
        T HZ    PHE   72 - QG2   VAL   70   5.34 +/- 0.16   2.557% * 44.6681% (0.35 10.00   4.34  47.96) =   2.079%  kept
          QE    PHE   45 - QG2   VAL   70   8.36 +/- 0.60   0.166% *  0.0419% (0.33  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 5.19, residual support = 48.0:
          QE    PHE   72 - QG2   VAL   70   3.73 +/- 0.22  99.896% * 99.6667% (0.54   5.19  47.96) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  12.50 +/- 0.86   0.080% *  0.1311% (0.18   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.12 +/- 0.44   0.024% *  0.2022% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.24, residual support = 31.1:
          HN    LEU   71 - QG2   VAL   70   2.96 +/- 0.41  99.848% * 99.3654% (0.51   6.24  31.09) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  11.42 +/- 1.23   0.065% *  0.0936% (0.15   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.95 +/- 1.15   0.017% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.34 +/- 1.11   0.009% *  0.3184% (0.51   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  10.99 +/- 0.94   0.061% *  0.0455% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.747, support = 3.04, residual support = 48.0:
          QD    PHE   72 - QG1   VAL   70   3.62 +/- 1.11  91.268% * 14.4482% (0.80  1.00   2.73  47.96) =  65.016%  kept
        T HZ    PHE   72 - QG1   VAL   70   5.50 +/- 1.12   8.301% * 85.4717% (0.65 10.00   3.61  47.96) =  34.982%  kept
          QE    PHE   45 - QG1   VAL   70   9.58 +/- 1.02   0.431% *  0.0801% (0.61  1.00   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.963:
          HA    VAL   41 - HB2   LEU   71   5.25 +/- 0.77  99.229% * 38.1801% (0.92   0.02   0.97) =  99.291%  kept
          HA    HIS  122 - HB2   LEU   71  13.26 +/- 1.40   0.622% * 39.9153% (0.97   0.02   0.02) =   0.651%  kept
          HA    PHE   45 - HB2   LEU   71  16.29 +/- 0.53   0.137% * 15.5229% (0.38   0.02   0.02) =   0.056%
          HA    MET   92 - HB2   LEU   71  24.81 +/- 0.95   0.011% *  6.3817% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.58 A violated in 16 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.29, residual support = 139.7:
      O   HN    LEU   71 - HB2   LEU   71   2.46 +/- 0.19  99.998% * 99.8011% (0.95  10.0   6.29 139.74) = 100.000%  kept
          HN    THR  118 - HB2   LEU   71  19.39 +/- 1.15   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   LEU   71  17.38 +/- 0.71   0.001% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  24.13 +/- 0.94   0.000% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  22.21 +/- 0.89   0.000% *  0.0555% (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 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.21, residual support = 139.7:
      O   HN    LEU   71 - HB3   LEU   71   3.43 +/- 0.39  99.986% * 99.8011% (0.95  10.0   6.21 139.74) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  17.19 +/- 0.73   0.008% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.93 +/- 1.01   0.003% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  24.60 +/- 0.78   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  22.56 +/- 0.75   0.001% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 139.7:
      O   HB2   LEU   71 - HG    LEU   71   2.54 +/- 0.12  98.175% * 99.3720% (0.97  10.0   4.93 139.74) = 100.000%  kept
          HB3   GLN   17 - HG    LEU   71   7.42 +/- 1.78   0.514% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG    LEU   71   8.20 +/- 1.13   0.145% *  0.0501% (0.49   1.0   0.02   0.97) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.01 +/- 1.19   0.367% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.09 +/- 0.78   0.721% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.54 +/- 1.04   0.008% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.57 +/- 1.09   0.008% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  15.03 +/- 1.63   0.003% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.34 +/- 1.18   0.016% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.67 +/- 1.52   0.031% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  15.39 +/- 1.26   0.002% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.18 +/- 0.84   0.006% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.63 +/- 2.44   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  24.04 +/- 1.04   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.30 +/- 1.50   0.001% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  17.56 +/- 1.40   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  23.39 +/- 0.90   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.76 +/- 2.09   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  28.48 +/- 1.33   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  26.61 +/- 1.56   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 6.7, residual support = 139.7:
          HN    LEU   71 - QD2   LEU   71   3.77 +/- 0.39  99.856% * 99.7010% (0.87   6.70 139.74) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  12.21 +/- 1.39   0.134% *  0.0856% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.96 +/- 0.92   0.004% *  0.1670% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  19.27 +/- 1.11   0.006% *  0.0464% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.26, residual support = 19.4:
          HN    PHE   72 - QD2   LEU   71   3.33 +/- 0.34  99.970% * 99.5646% (0.73   5.26  19.45) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  13.28 +/- 0.57   0.030% *  0.4354% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.33, residual support = 44.0:
      O   HN    LEU   73 - HA    PHE   72   2.53 +/- 0.08  86.697% * 99.7786% (0.61  10.0   5.33  43.99) =  99.990%  kept
          HN    VAL   42 - HA    PHE   72   4.36 +/- 0.74   7.741% *  0.0998% (0.61   1.0   0.02   0.46) =   0.009%
          HN    ILE   19 - HA    PHE   72   4.14 +/- 0.42   5.561% *  0.0218% (0.13   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    PHE   72  16.41 +/- 1.01   0.001% *  0.0998% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 5.1, residual support = 91.8:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  99.987% * 99.9786% (0.71  10.0   5.10  91.85) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  13.20 +/- 0.71   0.013% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.34, residual support = 41.1:
          HG    LEU   73 - HA    PHE   72   4.79 +/- 1.25  45.895% * 67.4806% (0.37   2.51  43.99) =  92.792%  kept
          HG12  ILE   19 - HA    PHE   72   5.00 +/- 1.83  51.257% *  4.0720% (0.74   0.08   0.02) =   6.254%  kept
          HB3   LEU   67 - HA    PHE   72   7.89 +/- 1.42   1.407% * 22.1796% (0.66   0.46  32.17) =   0.935%  kept
          HB3   LYS+  74 - HA    PHE   72   8.78 +/- 0.47   0.445% *  0.4536% (0.31   0.02   0.02) =   0.006%
          QB    LEU   98 - HA    PHE   72   8.37 +/- 0.77   0.691% *  0.2184% (0.15   0.02   0.02) =   0.005%
          QB    ALA   61 - HA    PHE   72  11.10 +/- 0.76   0.115% *  1.0649% (0.74   0.02   0.02) =   0.004%
          HG    LEU   80 - HA    PHE   72  12.40 +/- 1.40   0.072% *  1.1010% (0.76   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    PHE   72  13.02 +/- 0.93   0.042% *  0.7580% (0.52   0.02   0.11) =   0.001%
          HB2   LEU   80 - HA    PHE   72  13.06 +/- 1.00   0.043% *  0.6693% (0.46   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    PHE   72  16.98 +/- 2.87   0.014% *  0.4947% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  15.81 +/- 1.15   0.014% *  0.4141% (0.29   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    PHE   72  19.09 +/- 1.00   0.004% *  1.0937% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.793, support = 5.35, residual support = 41.9:
          QD2   LEU   73 - HB2   PHE   72   4.51 +/- 0.69  27.485% * 96.5569% (0.82   5.60  43.99) =  95.274%  kept
          QG1   VAL   41 - HB2   PHE   72   4.27 +/- 1.63  50.772% *  2.5601% (0.28   0.43   0.02) =   4.666%  kept
          QG1   VAL   43 - HB2   PHE   72   4.78 +/- 0.88  21.089% *  0.0697% (0.17   0.02   0.02) =   0.053%
          HG    LEU   31 - HB2   PHE   72   8.82 +/- 1.58   0.600% *  0.3157% (0.75   0.02   0.02) =   0.007%
          QD1   ILE   56 - HB2   PHE   72  14.34 +/- 0.95   0.028% *  0.3398% (0.81   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   PHE   72  14.64 +/- 1.77   0.026% *  0.1578% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.02, residual support = 31.0:
        T QB    ALA   64 - HB2   PHE   72   5.41 +/- 1.06  99.762% * 98.2788% (0.84 10.00   0.02  30.96) =  99.996%  kept
          QB    ALA   47 - HB2   PHE   72  15.54 +/- 0.66   0.238% *  1.7212% (0.15  1.00   0.02   0.02) =   0.004%
    Distance limit 3.57 A violated in 17 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 5.7, residual support = 40.9:
          QD2   LEU   73 - HB3   PHE   72   4.06 +/- 1.56  47.152% * 85.3924% (0.72   6.09  43.99) =  92.872%  kept
          QG1   VAL   41 - HB3   PHE   72   4.46 +/- 1.43  27.149% *  9.0741% (0.69   0.67   0.02) =   5.682%  kept
          QG2   VAL   18 - HB3   PHE   72   5.86 +/- 1.06  12.690% *  4.7284% (0.33   0.75   2.61) =   1.384%  kept
          QG1   VAL   43 - HB3   PHE   72   4.62 +/- 1.12  12.704% *  0.2038% (0.53   0.02   0.02) =   0.060%
          HG    LEU   31 - HB3   PHE   72   8.57 +/- 1.49   0.236% *  0.3178% (0.82   0.02   0.02) =   0.002%
          QG2   THR   46 - HB3   PHE   72  11.14 +/- 1.00   0.058% *  0.0934% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   PHE   72  14.38 +/- 0.87   0.011% *  0.1902% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 0.02, residual support = 31.0:
        T QB    ALA   64 - HB3   PHE   72   5.31 +/- 0.81  99.736% * 97.0252% (0.63 10.00   0.02  30.96) =  99.992%  kept
          QD1   LEU  115 - HB3   PHE   72  15.08 +/- 1.27   0.264% *  2.9748% (0.19  1.00   0.02   0.02) =   0.008%
    Distance limit 3.55 A violated in 17 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.5, support = 0.0199, residual support = 6.39:
        T HA    VAL   18 - HB2   PHE   72   4.98 +/- 0.74  62.581% * 53.7192% (0.47 10.00   0.02   2.61) =  91.173%  kept
          HA    VAL   70 - HB2   PHE   72   5.97 +/- 0.98  33.170% *  9.3005% (0.82  1.00   0.02  47.96) =   8.367%  kept
          HA1   GLY   16 - HB2   PHE   72   8.74 +/- 0.82   2.634% *  2.6381% (0.23  1.00   0.02   0.02) =   0.188%
          HB2   SER   37 - HB2   PHE   72  10.87 +/- 1.38   0.773% *  5.7550% (0.51  1.00   0.02   0.02) =   0.121%
          HA    LYS+  33 - HB2   PHE   72  11.54 +/- 1.08   0.494% *  7.2513% (0.64  1.00   0.02   0.02) =   0.097%
          HA    GLU-  29 - HB2   PHE   72  12.86 +/- 0.90   0.252% *  5.7550% (0.51  1.00   0.02   0.02) =   0.039%
          HA    GLN  116 - HB2   PHE   72  17.99 +/- 1.14   0.031% *  9.3005% (0.82  1.00   0.02   0.02) =   0.008%
          HB2   SER   82 - HB2   PHE   72  17.96 +/- 1.82   0.043% *  4.6185% (0.41  1.00   0.02   0.02) =   0.005%
          HA    SER   48 - HB2   PHE   72  18.94 +/- 1.18   0.022% *  1.6617% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 16 structures by 0.94 A, eliminated.
    Peak unassigned.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.268, support = 0.613, residual support = 16.8:
          HA    VAL   18 - HB3   PHE   72   5.03 +/- 0.59  72.861% * 27.0790% (0.15  1.00   0.75   2.61) =  67.772%  kept
          HA    VAL   70 - HB3   PHE   72   6.32 +/- 0.81  21.736% * 41.9402% (0.53  1.00   0.34  47.96) =  31.314%  kept
          HA1   GLY   16 - HB3   PHE   72   8.96 +/- 1.52   3.238% *  2.9941% (0.63  1.00   0.02   0.02) =   0.333%
        T HA    LYS+  33 - HB3   PHE   72  11.50 +/- 1.00   0.741% * 12.7263% (0.27 10.00   0.02   0.02) =   0.324%
        T HA    GLU-  29 - HB3   PHE   72  12.62 +/- 1.24   0.486% *  8.1599% (0.17 10.00   0.02   0.02) =   0.136%
          HB2   SER   37 - HB3   PHE   72  11.05 +/- 0.78   0.844% *  4.0416% (0.85  1.00   0.02   0.02) =   0.117%
          HA    GLN  116 - HB3   PHE   72  18.19 +/- 1.20   0.038% *  2.5009% (0.53  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - HB3   PHE   72  17.56 +/- 1.56   0.056% *  0.5580% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 12 structures by 1.02 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.93, residual support = 91.8:
      O T QD    PHE   72 - HB3   PHE   72   2.38 +/- 0.07  99.471% * 99.0530% (0.87  10.0 10.00   4.93  91.85) =  99.999%  kept
        T QE    PHE   45 - HB3   PHE   72   8.30 +/- 1.03   0.070% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.459% *  0.0306% (0.27   1.0  1.00   0.02  91.85) =   0.000%
    Distance limit 3.39 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 = 4.59, residual support = 91.8:
      O T QD    PHE   72 - HB2   PHE   72   2.44 +/- 0.08  99.409% * 99.8767% (0.83  10.0 10.00   4.59  91.85) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.530% *  0.0309% (0.26   1.0  1.00   0.02  91.85) =   0.000%
          QE    PHE   45 - HB2   PHE   72   8.49 +/- 0.61   0.061% *  0.0924% (0.77   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 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.87, residual support = 91.8:
      O   HN    PHE   72 - HB2   PHE   72   3.29 +/- 0.35  99.930% * 99.9402% (0.79  10.0   4.87  91.85) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  11.62 +/- 1.18   0.070% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.94, support = 0.739, residual support = 6.95:
          HG3   GLN   30 - HA    LEU   73   5.42 +/- 1.45  62.168% * 50.5884% (0.99   0.74   6.97) =  74.061%  kept
          HB2   GLN   30 - HA    LEU   73   6.15 +/- 0.73  26.305% * 41.5756% (0.80   0.75   6.97) =  25.754%  kept
          HB2   GLN   17 - HA    LEU   73   8.08 +/- 0.85   8.919% *  0.6739% (0.49   0.02   0.02) =   0.142%
          QB    GLU-  15 - HA    LEU   73  10.18 +/- 0.82   1.784% *  0.6739% (0.49   0.02   0.02) =   0.028%
          HB3   PRO   68 - HA    LEU   73  14.49 +/- 1.70   0.222% *  1.2010% (0.87   0.02   0.02) =   0.006%
          HB3   GLU-  25 - HA    LEU   73  13.29 +/- 0.46   0.344% *  0.4273% (0.31   0.02   0.02) =   0.003%
          HB3   GLU- 100 - HA    LEU   73  17.34 +/- 1.17   0.071% *  1.2010% (0.87   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    LEU   73  18.93 +/- 1.04   0.041% *  1.1087% (0.80   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU   73  19.55 +/- 1.85   0.044% *  0.7839% (0.57   0.02   0.02) =   0.001%
          HB2   PRO   93 - HA    LEU   73  17.34 +/- 0.64   0.078% *  0.3083% (0.22   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HA    LEU   73  22.91 +/- 1.20   0.014% *  0.6739% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   73  24.30 +/- 1.40   0.011% *  0.7839% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 12 structures by 1.28 A, kept.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.52, residual support = 40.1:
      O   HN    LYS+  74 - HA    LEU   73   2.57 +/- 0.10  99.987% * 99.6525% (0.69  10.0   5.52  40.10) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  11.78 +/- 0.62   0.012% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.17 +/- 2.86   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  24.58 +/- 0.96   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  20.68 +/- 0.98   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.736, support = 5.86, residual support = 155.5:
      O   HN    LEU   73 - HA    LEU   73   2.89 +/- 0.02  15.950% * 97.6685% (0.80  10.0   6.31 172.94) =  89.675%  kept
          HN    ILE   19 - HA    LEU   73   2.09 +/- 0.43  83.958% *  2.1361% (0.18   1.0   2.00   4.43) =  10.324%  kept
          HN    VAL   42 - HA    LEU   73   7.46 +/- 0.50   0.092% *  0.0977% (0.80   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  18.57 +/- 0.59   0.000% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.13, residual support = 172.9:
      O   HN    LEU   73 - HB2   LEU   73   3.39 +/- 0.42  99.478% * 99.6355% (0.38  10.0   6.13 172.94) =  99.999%  kept
          HN    VAL   42 - HB2   LEU   73   8.56 +/- 0.64   0.518% *  0.0996% (0.38   1.0   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HB2   LEU   73  19.01 +/- 0.85   0.004% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2891 (4.68, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 0.02, residual support = 0.141:
        T HA    HIS   22 - HB2   LEU   73   7.26 +/- 0.65  42.921% * 84.8829% (1.00 10.00   0.02   0.02) =  90.356%  kept
          HA    VAL   43 - HB2   LEU   73   6.83 +/- 0.89  56.494% *  6.7969% (0.80  1.00   0.02   1.30) =   9.523%  kept
          HA    ASN   69 - HB2   LEU   73  14.80 +/- 0.71   0.585% *  8.3202% (0.98  1.00   0.02   0.02) =   0.121%
    Distance limit 3.89 A violated in 19 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.36, residual support = 40.1:
          HN    LYS+  74 - HB3   LEU   73   3.33 +/- 0.49  99.957% * 97.4591% (0.25   5.36  40.10) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  12.99 +/- 0.84   0.040% *  0.5998% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  21.98 +/- 3.36   0.003% *  0.8260% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  25.30 +/- 1.58   0.001% *  1.1150% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.752, support = 5.7, residual support = 172.3:
          HN    LEU   73 - HG    LEU   73   2.96 +/- 0.76  50.064% * 85.4242% (0.80   5.69 172.94) =  93.496%  kept
          HN    ILE   19 - HG12  ILE   19   3.23 +/- 0.73  42.797% *  6.6145% (0.06   6.16 171.55) =   6.189%  kept
          HN    VAL   42 - HG    LEU   40   5.48 +/- 1.13   2.075% *  6.7316% (0.15   2.40   1.31) =   0.305%
          HN    LEU   73 - HG12  ILE   19   5.42 +/- 1.38   2.666% *  0.0981% (0.26   0.02   4.43) =   0.006%
          HN    ILE   19 - HG    LEU   73   5.03 +/- 0.85   1.886% *  0.0657% (0.18   0.02   4.43) =   0.003%
          HN    VAL   42 - HG    LEU   73   7.71 +/- 1.07   0.246% *  0.3004% (0.80   0.02   0.02) =   0.002%
          HN    VAL   42 - HG12  ILE   19   8.98 +/- 1.87   0.166% *  0.0981% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40  10.43 +/- 1.12   0.025% *  0.0560% (0.15   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  10.00 +/- 1.38   0.029% *  0.0366% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  12.04 +/- 0.77   0.008% *  0.0560% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  18.14 +/- 1.16   0.001% *  0.3004% (0.80   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.80 +/- 1.70   0.004% *  0.0366% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.89 +/- 1.01   0.010% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.48 +/- 0.84   0.011% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.06 +/- 1.25   0.009% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.08 +/- 1.74   0.000% *  0.0981% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.98 +/- 1.69   0.000% *  0.0366% (0.10   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  16.47 +/- 1.22   0.001% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  19.31 +/- 1.19   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  20.23 +/- 1.57   0.000% *  0.0018% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.0748, support = 1.64, residual support = 1.7:
          HN    LEU   71 - HG    LEU   40   5.50 +/- 0.82  63.122% * 48.6434% (0.05   1.74   1.80) =  93.651%  kept
          HN    LEU   71 - HG    LEU   73   9.55 +/- 1.32   3.254% * 34.9886% (0.28   0.23   0.36) =   3.472%  kept
          HN    THR   26 - HG    LEU   73   8.27 +/- 0.80   7.253% *  8.9891% (0.84   0.02   0.02) =   1.988%  kept
          HN    THR   26 - HG    LEU   80   7.60 +/- 0.95  12.398% *  1.0938% (0.10   0.02   0.02) =   0.414%
          HN    LEU   71 - HG12  ILE   19   7.99 +/- 1.73  12.806% *  0.9772% (0.09   0.02   0.02) =   0.382%
          HN    THR   26 - HG12  ILE   19  11.14 +/- 0.68   1.019% *  2.9357% (0.27   0.02   0.02) =   0.091%
          HN    THR   26 - HG    LEU   40  19.95 +/- 1.07   0.026% *  1.6759% (0.16   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU   80  17.11 +/- 1.47   0.086% *  0.3641% (0.03   0.02   0.02) =   0.001%
          HN    LEU   71 - HG    LEU  115  19.57 +/- 1.23   0.034% *  0.0830% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  27.60 +/- 1.31   0.004% *  0.2492% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 13 structures by 1.40 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.88, residual support = 172.9:
          HN    LEU   73 - QD2   LEU   73   2.30 +/- 0.81  98.515% * 98.6857% (0.38   7.88 172.94) =  99.996%  kept
          HN    VAL   42 - QD2   LEU   73   5.84 +/- 1.28   0.722% *  0.2505% (0.38   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG3   LYS+ 121   7.39 +/- 1.36   0.739% *  0.2271% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QD2   LEU   73  14.39 +/- 1.59   0.003% *  0.6659% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  12.45 +/- 1.42   0.019% *  0.0854% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  17.44 +/- 1.71   0.002% *  0.0854% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.83, residual support = 40.1:
          HN    LYS+  74 - QD2   LEU   73   3.68 +/- 0.32  99.742% * 96.7751% (0.25   5.83  40.10) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  10.59 +/- 1.27   0.195% *  0.5478% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  19.54 +/- 2.91   0.029% *  0.7543% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.17 +/- 0.83   0.023% *  0.3472% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  20.28 +/- 1.38   0.004% *  1.0182% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.03 +/- 1.36   0.005% *  0.1133% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  23.36 +/- 1.22   0.002% *  0.1868% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  34.14 +/- 2.81   0.000% *  0.2572% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.77, residual support = 187.6:
      O   HN    LYS+  74 - HB2   LYS+  74   2.72 +/- 0.46  99.879% * 99.3064% (0.20  10.0   5.77 187.65) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74   9.88 +/- 0.96   0.120% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  22.85 +/- 1.16   0.001% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  23.40 +/- 3.18   0.000% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.53, residual support = 32.6:
          HN    VAL   75 - HB3   LYS+  74   4.28 +/- 0.22  99.161% * 98.5692% (0.41   4.53  32.58) =  99.992%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.57 +/- 0.74   0.829% *  0.9185% (0.87   0.02   0.02) =   0.008%
          HN    LYS+ 112 - HB3   LYS+  74  23.14 +/- 1.34   0.004% *  0.3268% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+  74  23.54 +/- 2.73   0.005% *  0.1854% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 5 structures by 0.64 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.93, residual support = 32.6:
          HN    VAL   75 - HG2   LYS+  74   3.37 +/- 0.52  99.758% * 99.5281% (0.84   5.93  32.58) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.48 +/- 1.24   0.234% *  0.3939% (0.98   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 111  20.29 +/- 2.05   0.005% *  0.0421% (0.10   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  20.19 +/- 1.40   0.003% *  0.0359% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 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   3.99 +/- 0.11  99.936% * 95.5857% (0.84   0.34   0.34) =  99.997%  kept
          QD1   LEU  115 - HA    THR   77  14.11 +/- 1.36   0.064% *  4.4143% (0.65   0.02   0.02) =   0.003%
    Distance limit 3.46 A violated in 0 structures by 0.53 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 38.4:
      O   HN    ASP-  78 - HB3   ASP-  78   2.35 +/- 0.44  99.978% * 99.9053% (0.95  10.0   3.95  38.35) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.20 +/- 0.49   0.022% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.98, residual support = 38.4:
      O   HN    ASP-  78 - HB2   ASP-  78   2.85 +/- 0.32  99.952% * 99.9053% (0.95  10.0   4.98  38.35) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.31 +/- 0.69   0.048% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.27, residual support = 54.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.71 +/- 0.21  99.982% * 99.1581% (1.00  10.0 10.00   4.27  54.70) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.94 +/- 2.24   0.013% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.98 +/- 1.04   0.002% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.39 +/- 0.86   0.002% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.50 +/- 0.87   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.20 +/- 0.67   0.000% *  0.0221% (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 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.58, residual support = 54.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.42 +/- 0.14  99.990% * 99.5936% (0.98  10.0   3.58  54.70) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.13 +/- 2.08   0.006% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  18.59 +/- 1.03   0.001% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.35 +/- 1.26   0.002% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.29 +/- 1.18   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.94 +/- 1.59   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.84 +/- 1.44   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  25.89 +/- 1.17   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  22.15 +/- 1.77   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  25.79 +/- 1.42   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  24.59 +/- 1.02   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.92 +/- 1.46   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.949, support = 2.53, residual support = 6.47:
          HB2   ASP-  76 - HB3   GLU-  79   3.04 +/- 0.88  85.151% * 38.5052% (1.00  1.00   2.08   3.93) =  78.910%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.03 +/- 1.04  14.692% * 59.6401% (0.76  1.00   4.20  16.00) =  21.089%  kept
        T HB2   ASN   28 - HB3   GLU-  79  13.73 +/- 1.06   0.023% *  0.6504% (0.18 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB2   GLN   90  11.93 +/- 2.53   0.092% *  0.1055% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.48 +/- 2.19   0.030% *  0.1377% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  16.85 +/- 1.76   0.007% *  0.0926% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  21.16 +/- 1.37   0.001% *  0.2417% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  24.27 +/- 0.89   0.001% *  0.3584% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  21.16 +/- 0.92   0.001% *  0.0735% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  29.04 +/- 1.32   0.000% *  0.1332% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  24.73 +/- 1.57   0.001% *  0.0344% (0.09  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  24.24 +/- 1.02   0.001% *  0.0273% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 54.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.71 +/- 0.21  97.085% * 98.8585% (0.80  10.0 10.00   4.27  54.70) =  99.999%  kept
          HB    THR   77 - HB2   GLN   90   7.04 +/- 2.61   2.052% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   6.81 +/- 0.88   0.602% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.16 +/- 0.59   0.175% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.94 +/- 2.24   0.013% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.06 +/- 2.93   0.029% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  14.91 +/- 1.45   0.005% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.37 +/- 0.90   0.015% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.41 +/- 0.71   0.008% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.22 +/- 1.85   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  15.10 +/- 2.43   0.005% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.05 +/- 1.03   0.006% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.26 +/- 0.76   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.98 +/- 1.25   0.001% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.88 +/- 1.53   0.001% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  26.58 +/- 1.06   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  23.63 +/- 1.41   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.35 +/- 0.67   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.77 +/- 2.76   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.13 +/- 2.83   0.000% *  0.0102% (0.08   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 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 90.0:
      O T HA    GLN   90 - HB2   GLN   90   2.57 +/- 0.25  96.218% * 96.0605% (0.27  10.0 10.00   3.96  89.96) =  99.997%  kept
          HA    ALA   91 - HB2   GLN   90   4.84 +/- 0.50   3.711% *  0.0644% (0.18   1.0  1.00   0.02  32.35) =   0.003%
        T HA    GLN   90 - HB3   GLU-  79  12.35 +/- 2.15   0.017% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79   9.98 +/- 0.96   0.039% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.03 +/- 1.73   0.006% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  15.53 +/- 1.36   0.003% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.08 +/- 1.69   0.004% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.75 +/- 2.53   0.001% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.50 +/- 1.21   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.00 +/- 1.55   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.14 +/- 1.38   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  19.10 +/- 1.55   0.001% *  0.0368% (0.10   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 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 2.14, residual support = 5.39:
          HB2   ASP-  76 - HB2   GLU-  79   2.64 +/- 0.74  92.498% * 36.7815% (1.00   1.86   3.93) =  87.901%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.91 +/- 0.81   7.482% * 62.5908% (0.76   4.14  16.00) =  12.099%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.76 +/- 1.16   0.016% *  0.0692% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  16.83 +/- 1.71   0.003% *  0.0986% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  23.93 +/- 0.91   0.000% *  0.3816% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  20.87 +/- 0.92   0.001% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.39, residual support = 48.8:
          HN    LEU   80 - HB2   GLU-  79   2.69 +/- 0.68  99.940% * 98.5189% (0.61   5.39  48.78) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.62 +/- 0.77   0.042% *  0.2936% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  15.16 +/- 1.84   0.014% *  0.2264% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.02 +/- 1.22   0.003% *  0.5232% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  17.98 +/- 1.22   0.002% *  0.4380% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.58, residual support = 48.8:
          HN    LEU   80 - HB3   GLU-  79   2.93 +/- 0.68  99.022% * 97.9212% (0.61   5.58  48.78) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   7.81 +/- 1.24   0.745% *  0.1046% (0.18   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79  10.94 +/- 0.67   0.052% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.10 +/- 2.19   0.080% *  0.1304% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  12.34 +/- 2.35   0.083% *  0.0807% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.12 +/- 0.97   0.004% *  0.5018% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.68 +/- 1.76   0.009% *  0.2171% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.14 +/- 0.83   0.003% *  0.4201% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.07 +/- 1.11   0.001% *  0.1864% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  25.05 +/- 1.04   0.000% *  0.1561% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.58, residual support = 90.0:
      O   HN    GLN   90 - HB2   GLN   90   3.80 +/- 0.39  98.847% * 98.6230% (0.23  10.0   5.58  89.96) =  99.999%  kept
          HN    GLY  109 - HB2   GLN   90  10.76 +/- 1.99   0.392% *  0.1458% (0.33   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB3   GLU-  79   9.32 +/- 1.08   0.610% *  0.0675% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB3   GLU-  79  13.30 +/- 2.14   0.131% *  0.2654% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  18.66 +/- 1.36   0.009% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.25 +/- 1.49   0.003% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  20.65 +/- 1.82   0.005% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  22.43 +/- 2.07   0.003% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.15, residual support = 48.8:
          HN    LEU   80 - QG    GLU-  79   3.34 +/- 0.81  99.754% * 98.4511% (0.61   5.15  48.78) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79  10.26 +/- 0.69   0.166% *  0.3070% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  15.32 +/- 1.32   0.020% *  0.5471% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  14.81 +/- 2.04   0.046% *  0.2367% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  16.36 +/- 1.31   0.014% *  0.4580% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.5, residual support = 48.8:
      O   HN    LEU   80 - HA    GLU-  79   3.42 +/- 0.29  99.852% * 99.2120% (0.28  10.0   5.50  48.78) = 100.000%  kept
          HN    SER   85 - HA    GLU-  79  10.30 +/- 0.56   0.141% *  0.2980% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    GLU-  79  18.86 +/- 0.86   0.004% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.18 +/- 0.83   0.003% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.588, support = 4.45, residual support = 84.8:
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.01  74.036% * 28.0259% (0.34  10.0  1.00   3.86  84.77) =  53.132%  kept
      O   HB2   LEU   80 - QD2   LEU   80   2.64 +/- 0.42  25.681% * 71.2691% (0.87  10.0  1.00   5.12  84.77) =  46.867%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.08 +/- 1.74   0.194% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   80   7.51 +/- 1.29   0.072% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  12.00 +/- 1.31   0.003% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.88 +/- 1.19   0.005% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  11.23 +/- 1.14   0.004% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.08 +/- 1.63   0.002% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.85 +/- 1.41   0.002% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.50 +/- 1.73   0.000% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  15.41 +/- 1.18   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  15.12 +/- 1.44   0.001% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.23 +/- 2.45   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  17.91 +/- 1.66   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  22.41 +/- 1.57   0.000% *  0.0144% (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 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.9, support = 5.33, residual support = 61.4:
          HA    LEU   80 - QD2   LEU   80   2.83 +/- 0.91  59.669% * 50.2189% (0.87   6.13  84.77) =  70.493%  kept
          HA    THR   23 - QD2   LEU   80   3.45 +/- 0.84  36.845% * 32.4817% (0.99   3.47   5.60) =  28.154%  kept
          HB    THR   23 - QD2   LEU   80   4.96 +/- 0.78   3.370% * 17.0634% (0.73   2.49   5.60) =   1.353%  kept
          HA    ASP-  78 - QD2   LEU   80   7.91 +/- 0.68   0.115% *  0.1513% (0.80   0.02   3.43) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  17.88 +/- 1.33   0.001% *  0.0847% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.442, support = 4.03, residual support = 16.2:
          HN    THR   23 - QD2   LEU   80   4.02 +/- 1.00  61.133% * 26.1583% (0.41   3.28   5.60) =  51.658%  kept
          HN    LYS+  81 - QD2   LEU   80   4.82 +/- 0.78  30.560% * 40.0622% (0.38   5.50  32.47) =  39.549%  kept
          HE3   TRP   27 - QD2   LEU   80   5.90 +/- 1.57   8.194% * 33.2165% (0.92   1.85   4.84) =   8.792%  kept
          QE    PHE   95 - QD2   LEU   80  11.73 +/- 1.30   0.094% *  0.1740% (0.45   0.02   0.02) =   0.001%
          QD    PHE   55 - QD2   LEU   80  17.90 +/- 1.15   0.007% *  0.3366% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  15.96 +/- 1.30   0.013% *  0.0525% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.96, residual support = 11.1:
          HN    VAL   24 - QD2   LEU   80   3.13 +/- 0.59  99.778% * 99.5154% (0.31   2.96  11.06) =  99.999%  kept
          HN    VAL   43 - QD2   LEU   80  10.26 +/- 1.41   0.222% *  0.4846% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.258, support = 3.67, residual support = 21.8:
          HN    LYS+  81 - QD1   LEU   80   4.52 +/- 0.54  24.449% * 72.3225% (0.24   5.36  32.47) =  60.311%  kept
          HN    THR   23 - QD1   LEU   80   3.73 +/- 0.53  65.917% * 16.8059% (0.27   1.14   5.60) =  37.785%  kept
          HE3   TRP   27 - QD1   LEU   80   6.53 +/- 1.08   6.430% *  8.5262% (0.60   0.26   4.84) =   1.870%  kept
          HE3   TRP   27 - QD2   LEU   98   6.81 +/- 0.87   2.117% *  0.3804% (0.34   0.02   0.02) =   0.027%
          QE    PHE   95 - QD2   LEU   98   9.12 +/- 1.67   0.823% *  0.1847% (0.17   0.02   0.02) =   0.005%
          QE    PHE   95 - QD1   LEU   80  11.56 +/- 1.51   0.103% *  0.3223% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  12.75 +/- 0.82   0.040% *  0.1694% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.42 +/- 1.43   0.007% *  0.6235% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  11.96 +/- 1.01   0.071% *  0.0558% (0.05   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.25 +/- 1.04   0.021% *  0.1546% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.35 +/- 0.99   0.007% *  0.3574% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  15.54 +/- 1.62   0.015% *  0.0973% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.85, residual support = 101.3:
          HN    LYS+  81 - QG    LYS+  81   2.06 +/- 0.19  99.946% * 98.5350% (0.87   4.85 101.34) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.24 +/- 0.69   0.035% *  0.1005% (0.21   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  11.49 +/- 1.05   0.004% *  0.2463% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.42 +/- 0.74   0.002% *  0.2099% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.69 +/- 1.95   0.008% *  0.0542% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  16.97 +/- 1.64   0.000% *  0.1757% (0.38   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.39 +/- 1.29   0.001% *  0.1179% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.76 +/- 1.68   0.001% *  0.0462% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.07 +/- 0.90   0.000% *  0.1944% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  15.77 +/- 1.42   0.001% *  0.0387% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.47 +/- 1.64   0.000% *  0.0894% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.51 +/- 2.20   0.001% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.53 +/- 1.74   0.000% *  0.0303% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  19.73 +/- 0.70   0.000% *  0.0634% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.07 +/- 1.32   0.000% *  0.0841% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.768, residual support = 1.54:
          HN    GLU-  79 - QG    LYS+  81   4.00 +/- 0.06  99.102% * 94.0430% (0.65   0.77   1.54) =  99.995%  kept
          HN    THR   94 - QG    LYS+  81  11.48 +/- 0.83   0.200% *  0.9437% (0.25   0.02   0.02) =   0.002%
          HN    THR   94 - HG2   LYS+ 106  10.20 +/- 1.13   0.503% *  0.2076% (0.05   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+  33  12.54 +/- 1.53   0.137% *  0.7449% (0.20   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  16.40 +/- 1.57   0.032% *  0.3423% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  19.38 +/- 1.08   0.008% *  1.1722% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  21.50 +/- 0.34   0.004% *  1.5558% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.19 +/- 1.66   0.010% *  0.5387% (0.14   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  21.25 +/- 0.99   0.005% *  0.4518% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.23, residual support = 101.3:
      O   HN    LYS+  81 - QB    LYS+  81   2.52 +/- 0.13  98.895% * 99.1682% (0.38  10.0   5.23 101.34) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   6.19 +/- 0.96   1.044% *  0.0263% (0.10   1.0   0.02   0.25) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.96 +/- 0.64   0.017% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  13.05 +/- 0.76   0.006% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  13.99 +/- 1.52   0.005% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52  11.48 +/- 3.03   0.031% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  17.73 +/- 1.51   0.001% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.01 +/- 2.12   0.001% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  21.29 +/- 0.61   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  23.00 +/- 1.48   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  23.64 +/- 1.68   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.33 +/- 1.00   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.32, residual support = 101.3:
      O   HN    LYS+  81 - HA    LYS+  81   2.79 +/- 0.05  99.972% * 99.8291% (0.87  10.0   5.32 101.34) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  81  12.38 +/- 0.90   0.014% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    LYS+  81  12.72 +/- 0.81   0.012% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  18.47 +/- 1.55   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  21.46 +/- 0.53   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.837, support = 2.15, residual support = 8.42:
          HA    ASP-  78 - QG    LYS+  81   3.03 +/- 0.82  82.283% * 38.4793% (0.98   1.24   0.94) =  76.254%  kept
          HA    LEU   80 - QG    LYS+  81   4.23 +/- 0.26  16.516% * 59.6717% (0.38   5.04  32.47) =  23.735%  kept
          HA    THR   23 - QG    LYS+  81   8.36 +/- 0.95   0.769% *  0.4821% (0.76   0.02   0.02) =   0.009%
          HB    THR   23 - QG    LYS+  81  10.39 +/- 1.05   0.166% *  0.1573% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81   8.77 +/- 0.40   0.195% *  0.0973% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  15.03 +/- 0.80   0.010% *  0.2308% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  14.35 +/- 1.08   0.015% *  0.0753% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  12.81 +/- 1.48   0.031% *  0.0214% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  17.79 +/- 1.14   0.004% *  0.1134% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  22.60 +/- 0.97   0.001% *  0.2960% (0.47   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  19.96 +/- 1.90   0.001% *  0.1360% (0.22   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.43 +/- 0.97   0.003% *  0.0466% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  19.12 +/- 1.80   0.002% *  0.0521% (0.08   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  22.07 +/- 1.51   0.001% *  0.1061% (0.17   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  23.46 +/- 1.53   0.001% *  0.0346% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.42, residual support = 33.4:
      O   HN    SER   82 - HB3   SER   82   3.12 +/- 0.12  99.999% * 99.5254% (0.41  10.0   3.42  33.37) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  24.41 +/- 1.63   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  27.91 +/- 1.25   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.37, support = 3.66, residual support = 15.9:
      O   HN    TRP   49 - HA    SER   48   3.57 +/- 0.05  30.871% * 85.6420% (0.40  10.0   3.63  15.50) =  81.657%  kept
          HN    VAL   83 - HB2   SER   82   3.28 +/- 0.14  51.203% * 10.4316% (0.24   1.0   4.10  19.84) =  16.497%  kept
          HN    CYS   50 - HA    SER   48   3.94 +/- 0.24  17.842% *  3.3498% (0.36   1.0   0.87   0.02) =   1.846%  kept
          HE22  GLN   30 - HA    VAL   70  10.85 +/- 1.73   0.057% *  0.0242% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  15.92 +/- 1.11   0.004% *  0.1560% (0.72   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  17.11 +/- 0.99   0.003% *  0.1402% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  15.69 +/- 1.67   0.005% *  0.0696% (0.32   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  13.43 +/- 1.26   0.012% *  0.0279% (0.13   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.19 +/- 1.49   0.001% *  0.0382% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.23 +/- 0.60   0.000% *  0.0487% (0.23   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  20.65 +/- 1.19   0.001% *  0.0177% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.34 +/- 0.63   0.000% *  0.0542% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 4.02, residual support = 33.4:
      O   HN    SER   82 - HB2   SER   82   2.07 +/- 0.10  99.873% * 99.0159% (0.39  10.0   4.02  33.37) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.04 +/- 1.03   0.124% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  12.53 +/- 1.31   0.003% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.04 +/- 1.44   0.000% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.25 +/- 0.93   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  24.96 +/- 1.50   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  25.19 +/- 1.48   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  28.43 +/- 1.12   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  22.78 +/- 1.00   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.34, residual support = 42.6:
          HN    ALA   84 - HB    VAL   83   3.16 +/- 0.27  99.993% * 98.8139% (0.44   5.34  42.61) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  18.74 +/- 1.28   0.003% *  0.6824% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.13 +/- 1.72   0.002% *  0.3704% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.21 +/- 1.29   0.002% *  0.1333% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.0:
      O   HN    VAL   83 - HB    VAL   83   2.44 +/- 0.49  99.995% * 99.8243% (0.65  10.0   4.77  87.04) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.54 +/- 1.10   0.002% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.94 +/- 1.15   0.003% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.944, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   6.89 +/- 0.75  85.159% * 31.7530% (0.96   0.02   0.02) =  88.262%  kept
          HD21  ASN   28 - HA    ALA   84  10.44 +/- 0.92   8.395% * 30.7120% (0.93   0.02   0.02) =   8.416%  kept
          QE    PHE   60 - HA    ALA   84  11.28 +/- 1.13   5.495% * 16.7431% (0.51   0.02   0.02) =   3.003%  kept
          HN    LEU   63 - HA    ALA   84  17.05 +/- 0.76   0.442% * 11.9438% (0.36   0.02   0.02) =   0.173%
          HN    ILE   56 - HA    ALA   84  16.66 +/- 0.65   0.508% *  8.8482% (0.27   0.02   0.02) =   0.147%
    Distance limit 3.47 A violated in 20 structures by 3.23 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.347, residual support = 0.616:
          QE    PHE   45 - HA    ALA   84   3.58 +/- 1.15  99.663% * 91.3181% (0.81   0.35   0.62) =  99.981%  kept
          QD    PHE   72 - HA    ALA   84  12.13 +/- 0.81   0.256% *  6.0883% (0.93   0.02   0.02) =   0.017%
          HZ    PHE   72 - HA    ALA   84  14.25 +/- 1.05   0.081% *  2.5936% (0.40   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 3 structures by 0.30 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.4, residual support = 12.6:
          HB    ILE   89 - HA    ALA   84   2.52 +/- 0.38  99.994% * 98.4865% (0.91   1.40  12.65) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.19 +/- 0.93   0.005% *  0.6689% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  19.75 +/- 1.42   0.001% *  0.8447% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.747, support = 3.29, residual support = 31.6:
          QG2   VAL   83 - HA    ALA   84   3.61 +/- 0.60  64.588% * 48.2727% (0.66   3.56  42.61) =  63.110%  kept
          QD1   ILE   89 - HA    ALA   84   4.13 +/- 0.43  35.300% * 51.6287% (0.89   2.83  12.65) =  36.890%  kept
          QD2   LEU   31 - HA    ALA   84  10.52 +/- 0.90   0.113% *  0.0986% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.83, residual support = 12.6:
          HG13  ILE   89 - HA    ALA   84   3.40 +/- 1.30 100.000% *100.0000% (0.55   2.83  12.65) = 100.000%  kept
    Distance limit 3.80 A violated in 4 structures by 0.41 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 3.77, residual support = 31.3:
          QG2   VAL   83 - QB    ALA   84   4.03 +/- 0.52  66.588% * 44.8397% (0.66  1.00   3.92  42.61) =  62.406%  kept
          QD1   ILE   89 - QB    ALA   84   4.61 +/- 0.22  33.102% * 54.3288% (0.89  1.00   3.53  12.65) =  37.588%  kept
        T QD2   LEU   31 - QB    ALA   84   9.97 +/- 0.69   0.311% *  0.8315% (0.24 10.00   0.02   0.02) =   0.005%
    Distance limit 3.81 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.59, residual support = 12.6:
          HG13  ILE   89 - QB    ALA   84   4.24 +/- 0.75 100.000% *100.0000% (0.55   3.59  12.65) = 100.000%  kept
    Distance limit 3.73 A violated in 5 structures by 0.58 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.269, residual support = 0.616:
          QD    PHE   45 - QB    ALA   84   4.01 +/- 0.74  99.967% * 97.3444% (0.87   0.27   0.62) = 100.000%  kept
          HD2   HIS  122 - QB    ALA   84  17.04 +/- 0.76   0.025% *  1.4118% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  21.00 +/- 1.10   0.009% *  1.2438% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 3 structures by 0.31 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   9.32 +/- 1.02  88.838% * 28.9138% (0.59   0.02   0.02) =  83.836%  kept
          HE22  GLN   30 - QB    ALA   84  13.90 +/- 1.15  10.289% * 46.0056% (0.93   0.02   0.02) =  15.449%  kept
          HD22  ASN   69 - QB    ALA   84  20.89 +/- 1.42   0.873% * 25.0806% (0.51   0.02   0.02) =   0.715%  kept
    Distance limit 4.16 A violated in 20 structures by 4.97 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   2.16 +/- 0.06  99.976% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  11.17 +/- 1.61   0.008% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.58 +/- 0.47   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.59 +/- 0.96   0.009% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  17.12 +/- 0.92   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  12.37 +/- 0.78   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  19.07 +/- 0.91   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.29 +/- 1.23   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.11 +/- 0.78   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.97 +/- 1.48   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.86 +/- 1.09   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.91 +/- 1.35   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   2.98 +/- 0.07  99.894% * 97.6196% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  14.95 +/- 0.85   0.007% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  12.99 +/- 1.50   0.019% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  15.65 +/- 0.68   0.005% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.43 +/- 0.91   0.065% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.54 +/- 1.26   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.35 +/- 1.26   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  21.85 +/- 1.75   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  21.69 +/- 0.93   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.71 +/- 0.80   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  18.68 +/- 1.53   0.002% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.57 +/- 1.32   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.01 +/- 0.88   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.38 +/- 1.26   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.14 +/- 1.01   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  20.50 +/- 0.84   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.54 +/- 2.09   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.02 +/- 1.09   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 14.9:
      O   HN    SER  117 - QB    SER  117   2.17 +/- 0.06 100.000% * 98.5738% (0.12  10.0   2.79  14.87) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.38 +/- 0.79   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.59 +/- 1.21   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.01 +/- 0.85   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.41 +/- 1.14   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.82 +/- 1.31   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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   2.81 +/- 0.03  99.983% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  12.19 +/- 0.62   0.016% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  19.75 +/- 0.84   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.49 +/- 0.86   0.001% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.9:
      O   HN    ASP-  86 - HB3   ASP-  86   2.78 +/- 0.62  99.955% * 99.6620% (0.95  10.0   3.56  41.90) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  13.32 +/- 0.88   0.015% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  12.85 +/- 1.14   0.019% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.64 +/- 2.25   0.010% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.10 +/- 2.58   0.002% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.52 +/- 1.04   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.06, residual support = 41.9:
      O   HN    ASP-  86 - HB2   ASP-  86   2.59 +/- 0.14  99.984% * 99.2641% (0.49  10.0   5.06  41.90) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.35 +/- 0.88   0.006% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  16.00 +/- 1.72   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.13 +/- 1.08   0.007% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  20.01 +/- 2.41   0.001% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.10 +/- 1.06   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.447, support = 3.6, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.72 +/- 0.33  78.031% * 37.6646% (0.38   3.60  22.51) =  69.072%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.89 +/- 0.86  21.734% * 60.5430% (0.61   3.59  22.51) =  30.925%  kept
          HN    ALA   91 - HB2   ASP-  86  11.02 +/- 0.61   0.142% *  0.5267% (0.95   0.02   0.02) =   0.002%
          HN    TRP   27 - HB2   ASP-  86  11.67 +/- 0.95   0.084% *  0.5373% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  18.75 +/- 0.82   0.005% *  0.4994% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  19.98 +/- 1.31   0.003% *  0.2289% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.7:
        T HA    VAL   83 - HB2   ASP-  86   3.06 +/- 0.59  99.010% * 98.2344% (0.22 10.00   2.25  10.73) =  99.998%  kept
          HB3   SER   82 - HB2   ASP-  86   6.69 +/- 0.76   0.968% *  0.1814% (0.41  1.00   0.02   0.02) =   0.002%
          HA    GLN   30 - HB2   ASP-  86  15.59 +/- 0.83   0.009% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  18.70 +/- 1.33   0.003% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.46 +/- 1.58   0.003% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  18.45 +/- 1.56   0.003% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  22.06 +/- 1.13   0.001% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.00 +/- 1.31   0.002% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.76 +/- 1.25   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.9:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.01  99.991% * 99.2641% (0.49  10.0   4.05  41.90) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  15.52 +/- 0.86   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  18.03 +/- 2.06   0.002% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  14.91 +/- 1.13   0.004% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  22.67 +/- 2.49   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.82 +/- 1.02   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.57, residual support = 70.4:
          HE3   TRP   87 - HA    TRP   87   3.20 +/- 0.25  99.826% * 98.5842% (0.99   3.57  70.42) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.60 +/- 0.54   0.163% *  0.4836% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  15.60 +/- 1.03   0.008% *  0.2933% (0.53   0.02   5.97) =   0.000%
          HN    ALA   61 - HA    TRP   87  19.43 +/- 0.97   0.002% *  0.5147% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  24.13 +/- 1.41   0.001% *  0.1241% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB2   TRP   87   2.52 +/- 0.08  99.950% * 99.7445% (0.99  10.0   3.26  70.42) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.19 +/- 0.47   0.046% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  15.09 +/- 1.18   0.003% *  0.0529% (0.53   1.0   0.02   5.97) =   0.000%
          HN    ALA   61 - HB2   TRP   87  17.61 +/- 1.09   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  22.40 +/- 1.50   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.26, residual support = 70.4:
      O   HE3   TRP   87 - HB3   TRP   87   4.05 +/- 0.05  97.767% * 99.7445% (0.99  10.0   3.26  70.42) =  99.998%  kept
          HN    ALA   91 - HB3   TRP   87   7.79 +/- 0.57   2.161% *  0.0873% (0.87   1.0   0.02   0.02) =   0.002%
          HN    TRP   27 - HB3   TRP   87  14.75 +/- 0.94   0.046% *  0.0529% (0.53   1.0   0.02   5.97) =   0.000%
          HN    ALA   61 - HB3   TRP   87  16.65 +/- 1.03   0.022% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  22.30 +/- 1.24   0.004% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 2 structures by 0.84 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.9, support = 2.21, residual support = 20.1:
          QD1   ILE   89 - HB2   TRP   87   3.21 +/- 0.57  95.134% * 61.5792% (0.90   2.24  20.47) =  97.001%  kept
          QG2   VAL   83 - HB2   TRP   87   6.21 +/- 0.80   4.768% * 37.9762% (1.00   1.24   8.97) =   2.998%  kept
          QD2   LEU   31 - HB2   TRP   87  10.27 +/- 1.00   0.098% *  0.4446% (0.73   0.02   1.89) =   0.001%
    Distance limit 3.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 3.86, residual support = 20.5:
        T QD1   ILE   89 - HB3   TRP   87   2.15 +/- 0.56  95.673% * 99.8495% (0.45 10.00   3.86  20.47) =  99.998%  kept
          QG2   VAL   83 - HB3   TRP   87   5.60 +/- 0.86   4.254% *  0.0496% (0.22  1.00   0.02   8.97) =   0.002%
          QG2   VAL   75 - HB3   TRP   87   8.10 +/- 1.70   0.066% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  11.63 +/- 0.89   0.007% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 20.5:
          HG12  ILE   89 - HB3   TRP   87   2.52 +/- 0.86  99.682% * 54.8868% (0.22   0.75  20.47) =  99.970%  kept
          QB    ALA   91 - HB3   TRP   87   8.16 +/- 0.73   0.245% *  5.7027% (0.87   0.02   0.02) =   0.026%
          QG2   ILE   56 - HB3   TRP   87  13.11 +/- 1.84   0.031% *  2.7027% (0.41   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HB3   TRP   87  15.34 +/- 1.44   0.010% *  5.8960% (0.90   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  13.73 +/- 0.70   0.016% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  17.24 +/- 1.23   0.004% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  19.04 +/- 1.79   0.003% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  20.00 +/- 1.06   0.002% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  20.57 +/- 1.33   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.93 +/- 1.26   0.005% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  22.60 +/- 1.64   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.3:
      O   HN    ALA   88 - HA    ALA   88   2.23 +/- 0.02  99.999% * 99.0353% (0.38  10.0   1.63  11.30) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.80 +/- 0.63   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  19.60 +/- 1.46   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.02 +/- 1.84   0.000% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  21.76 +/- 0.92   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.89, residual support = 11.3:
      O   HN    ALA   88 - QB    ALA   88   2.90 +/- 0.09  99.988% * 99.1645% (0.38  10.0   1.89  11.30) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  16.52 +/- 1.32   0.003% *  0.2429% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  16.48 +/- 0.68   0.003% *  0.2429% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.28 +/- 1.62   0.004% *  0.1255% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  18.58 +/- 0.88   0.002% *  0.2242% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 214.9:
          QD1   ILE   89 - HA    ILE   89   2.60 +/- 0.54  99.619% * 99.6619% (0.92   5.98 214.85) =  99.999%  kept
          QG2   VAL   83 - HA    ILE   89   7.46 +/- 0.90   0.371% *  0.2481% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    ILE   89  13.39 +/- 0.41   0.010% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.28, residual support = 39.5:
      O   HN    GLN   90 - HA    ILE   89   2.56 +/- 0.42  99.755% * 99.8365% (0.99  10.0   6.28  39.46) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   8.01 +/- 1.28   0.220% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.14 +/- 0.24   0.022% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  15.69 +/- 1.57   0.003% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.0, residual support = 214.9:
      O   HN    ILE   89 - HA    ILE   89   2.75 +/- 0.13  99.996% * 99.6601% (0.76  10.0   6.00 214.85) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  17.51 +/- 0.85   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.72 +/- 0.87   0.001% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  25.20 +/- 0.58   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.09 +/- 0.45   0.000% *  0.0258% (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 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.925, support = 2.45, residual support = 8.22:
          HN    ALA   91 - HA    ILE   89   3.49 +/- 0.42  84.368% * 80.5047% (0.95   2.49   7.75) =  96.274%  kept
          HD1   TRP   87 - HA    ILE   89   5.09 +/- 0.79  14.982% * 17.5260% (0.38   1.37  20.47) =   3.722%  kept
          HE3   TRP   87 - HA    ILE   89   8.14 +/- 0.68   0.630% *  0.4148% (0.61   0.02  20.47) =   0.004%
          HN    ALA   61 - HA    ILE   89  15.70 +/- 1.20   0.011% *  0.6134% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE   89  17.15 +/- 0.61   0.007% *  0.6600% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  23.86 +/- 0.67   0.001% *  0.2812% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 214.8:
      O T QD1   ILE   89 - HB    ILE   89   2.90 +/- 0.44  87.350% * 99.6065% (0.74  10.0 10.00   5.31 214.85) =  99.991%  kept
        T QD1   ILE   89 - HB    VAL   43   6.10 +/- 1.23   1.582% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.004%
          QG2   VAL   83 - HB    ILE   89   5.39 +/- 0.75   3.532% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   5.72 +/- 1.30   6.511% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   31 - HB    VAL   43   6.48 +/- 0.46   1.000% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HB    ILE   89  11.68 +/- 0.81   0.026% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 214.9:
      O T HG13  ILE   89 - HB    ILE   89   2.48 +/- 0.25  99.780% * 99.7821% (0.78  10.0 10.00   4.97 214.85) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   7.37 +/- 1.14   0.220% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.57, residual support = 214.9:
      O   HN    ILE   89 - HB    ILE   89   2.52 +/- 0.28  99.911% * 99.5645% (0.61  10.0   5.57 214.85) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.96 +/- 0.93   0.038% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43   9.95 +/- 1.03   0.036% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  15.01 +/- 1.03   0.003% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.29 +/- 0.91   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.83 +/- 0.90   0.003% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.26 +/- 0.56   0.007% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.88 +/- 0.53   0.002% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  23.59 +/- 1.05   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.05 +/- 0.93   0.000% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   8.73 +/- 0.70 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.49 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 20.5:
          HD1   TRP   87 - QG2   ILE   89   4.02 +/- 0.16  99.846% * 92.1763% (0.95   0.75  20.47) =  99.998%  kept
          HN    TRP   27 - QG2   ILE   89  12.79 +/- 0.65   0.102% *  0.8864% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 102 - QG2   ILE   89  15.65 +/- 1.24   0.035% *  2.0807% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  18.71 +/- 0.69   0.010% *  2.3987% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  19.66 +/- 0.64   0.008% *  2.4580% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.48 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.13, residual support = 39.5:
          HN    GLN   90 - QG2   ILE   89   2.39 +/- 0.68  99.830% * 99.1759% (0.61   7.13  39.46) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.46 +/- 0.50   0.152% *  0.4233% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  13.19 +/- 1.10   0.011% *  0.1885% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  14.45 +/- 0.79   0.006% *  0.0708% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  19.19 +/- 1.20   0.001% *  0.1415% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 10.2:
        T HB2   PHE   45 - QG2   ILE   89   3.33 +/- 0.95  99.762% * 99.5807% (0.97 10.00   0.75  10.18) =  99.999%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.09 +/- 0.83   0.143% *  0.2745% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QG2   ILE   89  12.26 +/- 1.17   0.095% *  0.1448% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.169, support = 5.34, residual support = 38.4:
          QG    GLN   90 - QG2   ILE   89   3.92 +/- 0.35  84.942% * 76.8949% (0.15   5.48  39.46) =  97.415%  kept
          HG2   MET   92 - QG2   ILE   89   6.85 +/- 1.34  10.915% * 15.6516% (0.73   0.24   0.02) =   2.548%  kept
          HG2   PRO   52 - QG2   ILE   89   8.10 +/- 1.45   2.044% *  0.4050% (0.22   0.02   0.02) =   0.012%
          HB2   GLU-  79 - QG2   ILE   89   9.17 +/- 0.83   0.574% *  1.0298% (0.57   0.02   0.02) =   0.009%
          HB2   ASP-  44 - QG2   ILE   89   8.48 +/- 0.84   0.987% *  0.5057% (0.28   0.02   0.02) =   0.007%
          QG    GLU- 114 - QG2   ILE   89  10.29 +/- 1.03   0.410% *  1.1767% (0.65   0.02   0.02) =   0.007%
          HB3   PHE   72 - QG2   ILE   89  12.05 +/- 1.01   0.110% *  0.3600% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE   89  18.99 +/- 1.13   0.007% *  0.6827% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  22.14 +/- 0.85   0.003% *  1.3208% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.69 +/- 1.46   0.006% *  0.4536% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  26.20 +/- 2.04   0.001% *  1.5193% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 0.75, residual support = 10.2:
        T HB3   PHE   45 - QG2   ILE   89   3.03 +/- 0.82  98.196% * 90.8985% (0.49 10.00   0.75  10.18) =  99.936%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.96 +/- 0.42   0.723% *  7.6641% (1.00  1.00   0.31   0.02) =   0.062%
          HG3   MET   96 - QG2   ILE   89   8.10 +/- 0.89   0.559% *  0.1699% (0.34  1.00   0.02   5.67) =   0.001%
          HB    VAL  107 - QG2   ILE   89   8.64 +/- 0.83   0.461% *  0.0768% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  13.53 +/- 0.71   0.022% *  0.3806% (0.76  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  13.80 +/- 1.28   0.033% *  0.2424% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.65 +/- 0.84   0.005% *  0.4806% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  21.53 +/- 1.10   0.001% *  0.0872% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.472, support = 2.11, residual support = 12.2:
          QB    ALA   84 - QG2   ILE   89   3.17 +/- 0.44  92.917% * 28.7174% (0.49   1.84  12.65) =  91.494%  kept
          QB    ALA   88 - QG2   ILE   89   5.40 +/- 0.13   4.424% * 52.3116% (0.31   5.29   7.50) =   7.936%  kept
          HB3   PRO   93 - QG2   ILE   89   6.92 +/- 0.35   1.109% * 14.1666% (0.45   0.99   0.02) =   0.539%  kept
          HB3   LEU   80 - QG2   ILE   89   7.79 +/- 1.15   0.730% *  0.6345% (0.99   0.02   0.02) =   0.016%
          HB3   ASP-  44 - QG2   ILE   89   7.92 +/- 0.88   0.613% *  0.5553% (0.87   0.02   0.02) =   0.012%
          HB2   LEU   63 - QG2   ILE   89  11.06 +/- 0.79   0.066% *  0.6056% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QG2   ILE   89  12.14 +/- 1.41   0.047% *  0.6178% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  10.91 +/- 0.96   0.074% *  0.3883% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  14.37 +/- 0.72   0.013% *  0.6345% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.49 +/- 1.00   0.004% *  0.4893% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  18.87 +/- 0.90   0.003% *  0.4649% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  20.66 +/- 0.88   0.001% *  0.4141% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 214.9:
      O T HG13  ILE   89 - QG2   ILE   89   2.49 +/- 0.27 100.000% *100.0000% (0.98  10.0 10.00   5.69 214.85) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 214.8:
        T QD1   ILE   89 - QG2   ILE   89   2.08 +/- 0.48  97.977% * 99.2348% (0.92 10.00   6.31 214.85) =  99.985%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.33 +/- 0.77   2.006% *  0.7384% (0.69 10.00   0.02   0.02) =   0.015%
          QD2   LEU   31 - QG2   ILE   89  10.21 +/- 0.56   0.017% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.51, residual support = 214.9:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.01  98.934% * 99.4549% (0.92  10.0 10.00   5.51 214.85) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.72 +/- 1.39   1.056% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   ILE   89 - HG3   LYS+  99  15.89 +/- 1.53   0.001% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  11.41 +/- 0.72   0.005% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.93 +/- 1.16   0.005% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  16.65 +/- 1.48   0.001% *  0.0300% (0.28   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 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.13, residual support = 214.9:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.13 214.85) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  19.98 +/- 1.50   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 214.8:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.01  98.018% * 99.8079% (0.90  10.0 10.00   5.27 214.85) =  99.998%  kept
          QG2   VAL   83 - HG13  ILE   89   5.22 +/- 1.43   1.975% *  0.1113% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HG13  ILE   89  10.80 +/- 0.97   0.007% *  0.0808% (0.73   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 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 214.9:
      O T QG2   ILE   89 - HG13  ILE   89   2.49 +/- 0.27  98.736% * 99.9734% (0.84  10.0 10.00   5.69 214.85) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.05 +/- 1.55   1.264% *  0.0266% (0.22   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 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 214.8:
      O T HB    ILE   89 - HG13  ILE   89   2.48 +/- 0.25  99.756% * 98.8208% (0.49  10.0 10.00   4.97 214.85) =  99.998%  kept
        T HB    VAL   43 - HG13  ILE   89   7.37 +/- 1.14   0.220% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG13  ILE   89  10.33 +/- 1.33   0.023% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  18.07 +/- 1.46   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  17.76 +/- 1.39   0.001% *  0.0313% (0.15   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 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 214.9:
          HN    ILE   89 - HG13  ILE   89   3.36 +/- 0.50  99.965% * 98.7789% (0.76   5.52 214.85) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  14.71 +/- 1.00   0.018% *  0.4201% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  17.07 +/- 1.25   0.012% *  0.4431% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  22.24 +/- 1.01   0.002% *  0.2652% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  19.01 +/- 1.13   0.004% *  0.0927% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 214.9:
          HN    ILE   89 - HG12  ILE   89   2.20 +/- 0.61  99.968% * 98.2188% (0.76   5.73 214.85) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  11.46 +/- 1.03   0.020% *  0.1029% (0.23   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  17.77 +/- 1.37   0.002% *  0.4240% (0.95   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  15.98 +/- 0.86   0.002% *  0.4020% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.85 +/- 1.66   0.002% *  0.1720% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.99 +/- 1.18   0.004% *  0.0360% (0.08   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.76 +/- 0.67   0.000% *  0.1630% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.95 +/- 1.84   0.000% *  0.1389% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  22.94 +/- 0.79   0.000% *  0.2538% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  19.74 +/- 0.81   0.000% *  0.0887% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 214.9:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   5.27 214.85) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 214.9:
        T QG2   ILE   89 - QD1   ILE   89   2.08 +/- 0.48  99.652% * 99.7342% (0.84 10.00   6.31 214.85) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   6.63 +/- 1.06   0.348% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.51, residual support = 214.9:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.01  99.988% * 99.2664% (1.00  10.0 10.00   5.51 214.85) = 100.000%  kept
        T HG3   LYS+  99 - QD1   ILE   89  15.89 +/- 1.53   0.001% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  12.27 +/- 0.97   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   89  11.58 +/- 1.53   0.005% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  16.85 +/- 1.20   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  16.33 +/- 1.16   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.07 +/- 1.10   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  16.23 +/- 1.26   0.001% *  0.0277% (0.28   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 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 214.8:
      O T HB    ILE   89 - QD1   ILE   89   2.90 +/- 0.44  98.011% * 98.8208% (0.49  10.0 10.00   5.31 214.85) =  99.981%  kept
        T HB    VAL   43 - QD1   ILE   89   6.10 +/- 1.23   1.853% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.019%
          QD    LYS+  81 - QD1   ILE   89   9.75 +/- 0.83   0.115% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  14.23 +/- 1.48   0.010% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  13.99 +/- 1.39   0.011% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 1.5, residual support = 5.67:
        T HB3   MET   96 - QD1   ILE   89   4.52 +/- 1.32  99.149% * 99.2551% (0.53 10.00   1.50   5.67) =  99.999%  kept
          HB3   ARG+  54 - QD1   ILE   89  15.04 +/- 1.12   0.317% *  0.2182% (0.87  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QD1   ILE   89  14.06 +/- 1.52   0.226% *  0.1526% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD1   ILE   89  15.31 +/- 1.34   0.107% *  0.2256% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   ILE   89  14.21 +/- 1.22   0.183% *  0.0858% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  21.90 +/- 1.20   0.017% *  0.0627% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 11 structures by 1.13 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.86, residual support = 20.5:
        T HB3   TRP   87 - QD1   ILE   89   2.15 +/- 0.56  99.184% * 99.8369% (0.76 10.00   3.86  20.47) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   5.87 +/- 1.31   0.813% *  0.0177% (0.14  1.00   0.02   5.67) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  16.44 +/- 1.19   0.002% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  20.23 +/- 1.01   0.001% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.514, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89   9.86 +/- 0.99  66.803% * 62.4025% (0.57   0.02   0.02) =  76.959%  kept
          HB    THR  118 - QD1   ILE   89  11.11 +/- 0.82  33.197% * 37.5975% (0.34   0.02   0.02) =  23.041%  kept
    Distance limit 2.90 A violated in 20 structures by 6.29 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 10.2:
          QD    PHE   45 - QD1   ILE   89   3.45 +/- 0.93  99.912% * 95.0921% (0.45   2.00  10.18) =  99.998%  kept
          HD2   HIS  122 - QD1   ILE   89  13.08 +/- 1.15   0.068% *  2.1036% (0.99   0.02   0.02) =   0.002%
          HE22  GLN  116 - QD1   ILE   89  17.45 +/- 1.09   0.013% *  2.0803% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  19.51 +/- 1.93   0.007% *  0.7240% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.913, support = 2.46, residual support = 20.5:
          HN    TRP   87 - QD1   ILE   89   4.17 +/- 0.20  75.205% * 79.0861% (0.97   2.48  20.47) =  92.445%  kept
          HE3   TRP   87 - QD1   ILE   89   5.06 +/- 0.30  24.764% * 19.6286% (0.28   2.14  20.47) =   7.555%  kept
          HD21  ASN   69 - QD1   ILE   89  17.44 +/- 1.78   0.017% *  0.6248% (0.95   0.02   0.02) =   0.000%
          HN    GLN   17 - QD1   ILE   89  17.90 +/- 1.35   0.014% *  0.6605% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 214.9:
          HN    ILE   89 - QD1   ILE   89   3.05 +/- 0.48  99.939% * 98.8551% (0.76   5.89 214.85) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  13.03 +/- 0.86   0.029% *  0.3939% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.38 +/- 0.88   0.023% *  0.4155% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  18.47 +/- 0.87   0.003% *  0.2487% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  16.09 +/- 0.61   0.007% *  0.0869% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 90.0:
          HN    GLN   90 - QG    GLN   90   2.81 +/- 0.70  99.853% * 99.2282% (0.69   5.68  89.96) =  99.999%  kept
          HN    GLY  109 - QG    GLN   90   9.79 +/- 2.26   0.143% *  0.3496% (0.69   0.02   0.02) =   0.001%
          HN    ILE  103 - QG    GLN   90  17.08 +/- 1.79   0.004% *  0.4222% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.58, residual support = 90.0:
      O   HN    GLN   90 - HB3   GLN   90   3.41 +/- 0.24  99.290% * 99.8365% (0.83  10.0   5.58  89.96) = 100.000%  kept
          HN    GLY  109 - HB3   GLN   90  10.23 +/- 2.18   0.494% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB3   GLN   90  11.03 +/- 2.42   0.213% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  20.06 +/- 1.88   0.003% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.95, residual support = 54.7:
      O   HN    GLU-  79 - HB3   GLU-  79   2.91 +/- 0.47  99.242% * 98.3257% (0.16  10.0   3.95  54.70) =  99.997%  kept
          HN    SER   85 - HB2   GLN   90   7.81 +/- 1.24   0.528% *  0.3734% (0.61   1.0   0.02   0.02) =   0.002%
          HN    THR   94 - HB2   GLN   90   9.99 +/- 0.78   0.102% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.94 +/- 0.67   0.054% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  11.62 +/- 2.33   0.057% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.51 +/- 1.04   0.013% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  17.12 +/- 0.97   0.004% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  24.07 +/- 1.11   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2993 (4.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.568, support = 4.27, residual support = 54.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.71 +/- 0.21  97.085% * 97.1719% (0.57  10.0 10.00   4.27  54.70) =  99.997%  kept
          HB    THR   77 - HB2   GLN   90   7.04 +/- 2.61   2.052% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   6.81 +/- 0.88   0.602% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  12.94 +/- 2.24   0.013% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.16 +/- 0.59   0.175% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  13.06 +/- 2.93   0.029% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.37 +/- 0.90   0.015% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  13.41 +/- 0.71   0.008% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.05 +/- 1.03   0.006% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  15.10 +/- 2.43   0.005% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  14.91 +/- 1.45   0.005% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.22 +/- 1.85   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  19.88 +/- 1.53   0.001% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.98 +/- 1.25   0.001% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.26 +/- 0.76   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  28.35 +/- 0.67   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.77 +/- 2.76   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  40.13 +/- 2.83   0.000% *  0.0941% (0.55   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 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.632, support = 0.538, residual support = 0.499:
          QB    ALA   88 - QG    GLN   90   4.93 +/- 1.35  44.267% * 90.9645% (0.62   0.57   0.53) =  94.077%  kept
          QG2   THR   77 - QG    GLN   90   5.25 +/- 2.34  55.692% *  4.5513% (0.88   0.02   0.02) =   5.922%  kept
          QG2   THR   23 - QG    GLN   90  13.73 +/- 2.24   0.040% *  1.7426% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  22.40 +/- 1.23   0.001% *  1.1578% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  25.28 +/- 1.24   0.001% *  1.5838% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.11 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 = 0.381, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   6.69 +/- 2.96  81.048% *  3.4351% (0.18   0.02   0.02) =  63.385%  kept
          HB3   LYS+ 111 - QG    GLN   90  15.00 +/- 2.32   5.592% * 17.3580% (0.90   0.02   0.02) =  22.097%  kept
          HG2   LYS+ 106 - QG    GLN   90  13.13 +/- 1.94  10.496% *  2.6782% (0.14   0.02   0.02) =   6.400%  kept
          HD3   LYS+  74 - QG    GLN   90  15.77 +/- 2.57   0.629% * 17.3194% (0.89   0.02   0.02) =   2.482%  kept
          HG    LEU  104 - QG    GLN   90  19.36 +/- 1.43   0.607% * 17.0143% (0.88   0.02   0.02) =   2.349%  kept
          HB3   LYS+ 121 - QG    GLN   90  19.90 +/- 1.36   0.481% * 17.0143% (0.88   0.02   0.02) =   1.865%  kept
          QD    LYS+  66 - QG    GLN   90  20.50 +/- 1.15   0.236% *  9.8273% (0.51   0.02   0.02) =   0.528%  kept
          HD2   LYS+ 121 - QG    GLN   90  19.84 +/- 1.56   0.543% *  3.8645% (0.20   0.02   0.02) =   0.478%
          HG2   LYS+  33 - QG    GLN   90  21.66 +/- 1.71   0.131% *  8.4490% (0.44   0.02   0.02) =   0.252%
          HG2   LYS+  65 - QG    GLN   90  19.44 +/- 2.16   0.236% *  3.0399% (0.16   0.02   0.02) =   0.163%
    Distance limit 3.67 A violated in 13 structures by 2.58 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 62.2:
      O   HG3   MET   92 - HB2   MET   92   2.63 +/- 0.27  99.852% * 96.5136% (0.73  10.0  1.00   2.96  62.18) =  99.999%  kept
        T QG    GLN   90 - HB2   MET   92   8.65 +/- 0.93   0.131% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP- 105 - HB2   MET   92  15.85 +/- 1.16   0.003% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  14.73 +/- 1.31   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  13.90 +/- 0.69   0.005% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  15.05 +/- 1.59   0.004% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  27.93 +/- 1.93   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  27.15 +/- 1.45   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  19.76 +/- 0.78   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.88 +/- 1.37   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  28.04 +/- 1.06   0.000% *  0.0180% (0.14   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 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 62.2:
      O   HN    MET   92 - HB2   MET   92   3.06 +/- 0.63  99.666% * 99.7272% (0.92  10.0   3.65  62.18) = 100.000%  kept
          HN    THR   46 - HB2   MET   92  10.16 +/- 1.02   0.146% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.07 +/- 1.38   0.185% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  19.49 +/- 1.10   0.003% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  40.88 +/- 3.04   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 62.2:
      O T HA    MET   92 - HB2   MET   92   2.84 +/- 0.24  99.999% * 99.8006% (0.61  10.0 10.00   3.87  62.18) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  21.71 +/- 0.94   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  21.14 +/- 0.64   0.001% *  0.0676% (0.41   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 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.28, residual support = 62.2:
      O   HG3   MET   92 - HB3   MET   92   2.72 +/- 0.29  99.864% * 99.2141% (0.73  10.0   3.28  62.18) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.26 +/- 0.72   0.105% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.53 +/- 1.12   0.009% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  12.99 +/- 0.65   0.010% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.93 +/- 1.14   0.005% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.70 +/- 1.80   0.005% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  18.98 +/- 0.82   0.001% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.55 +/- 1.26   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  27.18 +/- 2.06   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  26.36 +/- 1.46   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.27 +/- 0.93   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 62.2:
      O T HA    MET   92 - HB3   MET   92   2.80 +/- 0.19  99.999% * 99.8006% (0.61  10.0 10.00   4.22  62.18) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  20.56 +/- 0.80   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  20.32 +/- 0.58   0.001% *  0.0676% (0.41   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 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 62.2:
      O T HA    MET   92 - HG2   MET   92   2.71 +/- 0.39  99.999% * 99.8006% (0.61  10.0 10.00   2.49  62.18) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  22.41 +/- 1.39   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.89 +/- 1.03   0.001% *  0.0676% (0.41   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 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.474, support = 0.02, residual support = 1.12:
          HA1   GLY   16 - QG2   THR   39   4.71 +/- 1.79  42.106% * 21.7367% (0.60   0.02   0.02) =  59.410%  kept
          HB2   SER   37 - QG2   THR   39   3.86 +/- 0.52  57.805% * 10.7941% (0.30   0.02   2.74) =  40.502%  kept
          HA    LYS+  66 - QG2   THR   39  11.50 +/- 0.99   0.074% * 16.6488% (0.46   0.02   0.02) =   0.080%
          HA1   GLY   16 - QG2   THR   23  18.19 +/- 0.71   0.004% * 12.1974% (0.33   0.02   0.02) =   0.004%
          HB2   SER   37 - QG2   THR   23  18.36 +/- 0.98   0.005% *  6.0571% (0.17   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  20.62 +/- 1.04   0.002% *  9.3424% (0.26   0.02   0.02) =   0.001%
          HA    LYS+  66 - QB    ALA   91  20.60 +/- 1.38   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    ALA   91  23.69 +/- 1.36   0.001% * 10.2645% (0.28   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  25.52 +/- 0.94   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.0, residual support = 62.2:
      O   HN    MET   92 - HB3   MET   92   3.76 +/- 0.36  99.408% * 99.8535% (0.92  10.0   4.00  62.18) = 100.000%  kept
          HN    THR   46 - HB3   MET   92   9.67 +/- 1.13   0.421% *  0.0827% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   MET   92  11.90 +/- 1.31   0.164% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  18.85 +/- 1.13   0.007% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3004 (4.43, 1.69, 34.43 ppm):
    10 chemical-shift based assignments, quality = 0.684, support = 0.02, residual support = 0.02:
          HA    THR   46 - HB3   MET   92   8.07 +/- 1.18  49.891% * 16.4223% (0.80   0.02   0.02) =  78.380%  kept
          HA    GLN   90 - HB3   MET   92   8.55 +/- 0.33  35.837% *  3.5917% (0.18   0.02   0.02) =  12.314%  kept
          HA    PHE   55 - HB3   MET   92  10.72 +/- 1.40  11.020% *  6.3300% (0.31   0.02   0.02) =   6.673%  kept
          HA    VAL   42 - HB3   MET   92  16.29 +/- 0.60   0.745% * 18.3930% (0.90   0.02   0.02) =   1.311%  kept
          HA    PRO   58 - HB3   MET   92  13.70 +/- 1.76   2.281% *  5.1139% (0.25   0.02   0.02) =   1.116%  kept
          HA    GLN   17 - HB3   MET   92  23.61 +/- 1.46   0.077% * 17.7900% (0.87   0.02   0.02) =   0.131%
          HA    LEU   40 - HB3   MET   92  22.81 +/- 0.64   0.098% *  3.1644% (0.15   0.02   0.02) =   0.030%
          HA    SER   37 - HB3   MET   92  31.07 +/- 0.77   0.015% * 17.7900% (0.87   0.02   0.02) =   0.025%
          HA    GLU-  15 - HB3   MET   92  27.85 +/- 1.12   0.027% *  5.7022% (0.28   0.02   0.02) =   0.015%
          HA    SER   13 - HB3   MET   92  33.89 +/- 1.54   0.009% *  5.7022% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.14 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 62.2:
      O T HA    MET   92 - HG3   MET   92   3.06 +/- 0.65  99.993% * 99.9198% (0.99  10.0 10.00   3.97  62.18) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  18.03 +/- 1.43   0.006% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  22.74 +/- 1.01   0.001% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 62.2:
          HN    MET   92 - HG3   MET   92   3.67 +/- 0.39  99.508% * 99.2221% (0.92   3.74  62.18) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.78 +/- 1.28   0.426% *  0.4388% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  13.27 +/- 1.51   0.060% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  20.29 +/- 1.53   0.006% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.407, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.40 +/- 0.64  91.028% * 67.4545% (0.41   0.02   0.02) =  98.560%  kept
          HN    LYS+  65 - HB2   PRO   93  13.81 +/- 0.53   2.424% * 25.3164% (0.15   0.02   0.02) =   0.985%  kept
          QD    PHE   45 - HG3   GLN   30  12.80 +/- 1.24   4.690% *  5.2564% (0.03   0.02   0.02) =   0.396%
          HN    LYS+  65 - HG3   GLN   30  14.89 +/- 1.81   1.859% *  1.9728% (0.01   0.02   0.02) =   0.059%
    Distance limit 4.25 A violated in 20 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.39, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.72 +/- 0.13  99.895% * 99.8806% (1.00  10.0   4.39  15.61) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  14.48 +/- 1.29   0.037% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  15.39 +/- 0.65   0.021% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  14.91 +/- 1.45   0.030% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.47 +/- 1.43   0.008% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  17.62 +/- 0.89   0.010% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.408, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.98 +/- 0.70  96.543% * 72.7108% (0.41   0.02   0.02) =  98.674%  kept
          HN    LYS+  65 - HG2   PRO   93  15.90 +/- 0.61   3.457% * 27.2892% (0.15   0.02   0.02) =   1.326%  kept
    Distance limit 4.09 A violated in 20 structures by 4.84 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.73 +/- 0.18  99.773% * 98.6893% (0.84  10.0  1.00   5.30 132.41) = 100.000%  kept
          HB    VAL  108 - HG3   PRO   93   8.59 +/- 0.81   0.122% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG3   PRO   93   9.62 +/- 1.81   0.089% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  12.51 +/- 1.29   0.015% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  23.57 +/- 1.41   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  22.88 +/- 0.96   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  26.80 +/- 0.93   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.36 +/- 1.03   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  37.88 +/- 3.53   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.855% * 96.9677% (0.99  10.0 10.00   3.97 132.41) = 100.000%  kept
          HB3   PRO   52 - HG3   PRO   93   5.97 +/- 1.67   0.144% *  0.0367% (0.38   1.0  1.00   0.02   0.71) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.14 +/- 0.72   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  17.79 +/- 1.28   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  20.41 +/- 1.25   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.94 +/- 0.81   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  14.78 +/- 0.92   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  17.30 +/- 1.26   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  23.29 +/- 0.69   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  23.97 +/- 1.35   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.4:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.405% * 97.0769% (0.95  10.0 10.00   3.97 132.41) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   4.19 +/- 0.30   0.579% *  0.0947% (0.92   1.0  1.00   0.02   1.67) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   8.41 +/- 1.06   0.013% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  10.20 +/- 0.82   0.003% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  19.85 +/- 1.34   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.51 +/- 1.03   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  13.76 +/- 1.22   0.001% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  18.27 +/- 1.06   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.41 +/- 0.83   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.64 +/- 1.33   0.000% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  19.69 +/- 1.12   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  19.58 +/- 0.83   0.000% *  0.0581% (0.57   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 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.4:
      O   HD3   PRO   93 - HG3   PRO   93   2.30 +/- 0.00  92.598% * 99.5358% (0.97  10.0   3.97 132.41) =  99.992%  kept
          QB    PHE   55 - HG3   PRO   93   5.01 +/- 1.50   6.544% *  0.1029% (1.00   1.0   0.02   0.02) =   0.007%
          HB3   CYS   53 - HG3   PRO   93   6.99 +/- 2.03   0.779% *  0.0861% (0.84   1.0   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG3   PRO   93   7.98 +/- 0.91   0.065% *  0.0952% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  10.86 +/- 2.05   0.013% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  19.12 +/- 1.12   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.87 +/- 0.01  99.984% * 99.4436% (0.25  10.0   3.97 132.41) = 100.000%  kept
          HA    THR   77 - HG3   PRO   93  12.87 +/- 1.15   0.015% *  0.3681% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG3   PRO   93  21.04 +/- 0.69   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  23.36 +/- 0.65   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.60 +/- 0.60 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.13 A violated in 20 structures by 11.47 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.712, support = 2.96, residual support = 6.62:
          HN    ALA  110 - HD2   PRO   93   3.23 +/- 0.78  99.598% * 99.2027% (0.71   2.96   6.62) =  99.998%  kept
          HN    PHE   45 - HD2   PRO   93   9.20 +/- 0.31   0.365% *  0.5718% (0.61   0.02   0.02) =   0.002%
          HN    ASP-  44 - HD2   PRO   93  13.52 +/- 0.33   0.036% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  23.87 +/- 1.19   0.001% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.986, residual support = 0.986:
          HA1   GLY  109 - HD2   PRO   93   4.46 +/- 1.30  96.991% * 88.9838% (0.38   0.99   0.99) =  99.939%  kept
          HA    CYS   50 - HD2   PRO   93   9.72 +/- 1.32   2.618% *  1.6684% (0.35   0.02   0.02) =   0.051%
          HA    TRP   49 - HD2   PRO   93  13.41 +/- 1.31   0.342% *  2.3544% (0.50   0.02   0.02) =   0.009%
          HA    LYS+ 102 - HD2   PRO   93  21.42 +/- 0.66   0.017% *  3.4200% (0.72   0.02   0.02) =   0.001%
          HA    CYS   21 - HD2   PRO   93  22.52 +/- 0.69   0.012% *  2.9732% (0.63   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   PRO   93  21.06 +/- 0.77   0.020% *  0.6003% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 8 structures by 0.74 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.62:
          QB    ALA  110 - HD2   PRO   93   3.94 +/- 1.02  93.069% * 93.8302% (0.69   2.31   6.62) =  99.986%  kept
          HB3   LEU  115 - HD2   PRO   93   8.24 +/- 1.58   6.584% *  0.1504% (0.13   0.02   0.02) =   0.011%
          QB    ALA   61 - HD2   PRO   93  12.56 +/- 0.71   0.143% *  0.8566% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD2   PRO   93  17.81 +/- 1.76   0.026% *  0.8285% (0.70   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  16.20 +/- 1.63   0.059% *  0.2929% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  17.32 +/- 1.16   0.025% *  0.6875% (0.58   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  16.44 +/- 2.06   0.037% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  19.42 +/- 0.93   0.014% *  0.8121% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  19.99 +/- 1.30   0.012% *  0.5207% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  18.19 +/- 1.18   0.016% *  0.2650% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  23.93 +/- 1.27   0.003% *  0.7700% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  23.33 +/- 1.52   0.004% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  20.67 +/- 1.08   0.009% *  0.1504% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 5 structures by 0.53 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.637, support = 1.19, residual support = 8.31:
          QB    ALA  110 - HD3   PRO   93   4.17 +/- 1.53  42.690% * 57.2088% (0.78   0.75   6.62) =  79.965%  kept
          HB3   LEU   67 - HD3   PRO   68   4.57 +/- 0.40  19.584% * 25.9989% (0.08   3.41  18.13) =  16.671%  kept
          QG    LYS+  66 - HD3   PRO   68   4.58 +/- 1.62  37.142% *  2.7608% (0.05   0.57   0.02) =   3.357%  kept
          HD3   LYS+ 121 - HD3   PRO   68  11.88 +/- 2.97   0.217% *  0.2614% (0.13   0.02   0.02) =   0.002%
          QB    ALA   61 - HD3   PRO   93  11.95 +/- 0.88   0.048% *  1.1377% (0.58   0.02   0.02) =   0.002%
          QB    ALA   61 - HD3   PRO   68   9.94 +/- 0.81   0.164% *  0.2025% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  16.33 +/- 2.08   0.009% *  1.6637% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  17.00 +/- 1.82   0.010% *  1.4690% (0.75   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  17.70 +/- 1.76   0.006% *  1.4690% (0.75   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   93  17.77 +/- 1.34   0.005% *  1.4083% (0.72   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  13.86 +/- 1.35   0.023% *  0.2889% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  13.30 +/- 1.68   0.039% *  0.1647% (0.08   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.96 +/- 0.32   0.005% *  0.9253% (0.47   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.08 +/- 1.12   0.007% *  0.5428% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  14.85 +/- 1.45   0.014% *  0.2506% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  19.50 +/- 0.92   0.003% *  0.8561% (0.44   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  17.82 +/- 1.36   0.005% *  0.2715% (0.14   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  23.88 +/- 1.14   0.001% *  1.6235% (0.83   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  15.26 +/- 1.25   0.016% *  0.0548% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  17.04 +/- 2.59   0.009% *  0.0870% (0.04   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  20.03 +/- 1.28   0.002% *  0.3080% (0.16   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  21.23 +/- 1.79   0.002% *  0.2614% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  21.35 +/- 1.39   0.002% *  0.2961% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  29.71 +/- 2.36   0.000% *  0.4890% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   2.47 +/- 0.54 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.96 +/- 0.88  95.479% * 98.9959% (0.77   2.00   5.50) =  99.965%  kept
          QG2   VAL   83 - HB    THR   94   7.54 +/- 1.37   4.453% *  0.7366% (0.57   0.02   0.02) =   0.035%
          QD2   LEU   31 - HB    THR   94  12.07 +/- 0.64   0.068% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 2 structures by 0.15 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.75 +/- 0.62  99.973% * 99.8423% (0.81 10.00   2.96  27.13) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  13.10 +/- 0.69   0.020% *  0.1032% (0.83  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  14.80 +/- 1.52   0.007% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.04 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  14.60 +/- 0.99 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.94 A violated in 20 structures by 11.66 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 = 25.2:
      O   HN    THR   94 - HB    THR   94   2.80 +/- 0.19  99.909% * 99.8964% (0.83  10.0   3.08  25.23) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.01 +/- 0.80   0.031% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94   9.88 +/- 0.45   0.059% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.1:
          HN    PHE   45 - HB    THR   94   4.35 +/- 0.50  97.612% * 99.4994% (0.81   3.30  27.13) =  99.988%  kept
          HN    ALA  110 - HB    THR   94   8.83 +/- 0.83   2.388% *  0.5006% (0.67   0.02   0.02) =   0.012%
    Distance limit 4.16 A violated in 2 structures by 0.32 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   5.65 +/- 1.00 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.44 A violated in 19 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.85, residual support = 13.7:
          HN    PHE   95 - QG2   THR   94   2.84 +/- 0.26 100.000% *100.0000% (0.97   3.85  13.71) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 0.0199, residual support = 0.0199:
          HA    TRP   87 - HA    PHE   95  11.01 +/- 0.87  30.773% * 25.3593% (0.76   0.02   0.02) =  45.667%  kept
          HA    LEU  104 - HA    PHE   95  12.14 +/- 0.25  16.496% * 27.7167% (0.84   0.02   0.02) =  26.757%  kept
          HA    PHE   59 - HA    PHE   95  10.34 +/- 0.84  44.612% *  8.2742% (0.25   0.02   0.02) =  21.601%  kept
          HA    ASP-  86 - HA    PHE   95  13.98 +/- 0.83   7.536% * 12.4539% (0.38   0.02   0.02) =   5.492%  kept
          HA    GLU-  14 - HA    PHE   95  22.26 +/- 1.16   0.463% * 14.8769% (0.45   0.02   0.02) =   0.403%
          HA    ALA   12 - HA    PHE   95  27.92 +/- 1.78   0.120% * 11.3190% (0.34   0.02   0.02) =   0.080%
    Distance limit 3.47 A violated in 20 structures by 5.49 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   2.56 +/- 0.59  99.950% * 99.8140% (0.87   3.44  73.49) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.47 +/- 0.47   0.050% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 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   2.22 +/- 0.03  99.995% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.76 +/- 0.39   0.005% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.49) = 100.000%  kept
    Distance limit 3.71 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   2.43 +/- 0.17  99.989% * 99.9680% (0.87  10.0   3.00  73.49) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  11.48 +/- 0.76   0.011% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.56 +/- 0.19  99.987% * 99.9680% (0.87  10.0   3.31  73.49) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  11.65 +/- 0.79   0.013% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.19, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.48 +/- 0.39 100.000% *100.0000% (0.53  10.0   4.19  73.49) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.69 +/- 0.30 100.000% *100.0000% (0.53  10.0   3.86  73.49) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 46.2:
          QG2   VAL  107 - HB3   PHE   95   4.45 +/- 1.02  89.991% * 95.9690% (0.84   1.73  46.21) =  99.933%  kept
          HG13  ILE  119 - HB3   PHE   95   8.51 +/- 1.44   5.933% *  0.5454% (0.41   0.02   0.02) =   0.037%
          HG13  ILE  103 - HB3   PHE   95   8.66 +/- 0.81   3.321% *  0.4979% (0.38   0.02   0.02) =   0.019%
          HG2   LYS+ 121 - HB3   PHE   95  11.01 +/- 1.04   0.558% *  1.3003% (0.98   0.02   0.02) =   0.008%
          QB    ALA   20 - HB3   PHE   95  14.92 +/- 0.93   0.130% *  1.1897% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   31 - HB3   PHE   95  16.03 +/- 0.61   0.068% *  0.4979% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 8 structures by 0.78 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.569, support = 1.57, residual support = 4.95:
          QD1   LEU   63 - HB3   PHE   95   3.72 +/- 1.26  88.457% * 84.3207% (0.57   1.59   4.98) =  99.047%  kept
          QD2   LEU  115 - HB3   PHE   95   8.16 +/- 1.26   7.358% *  9.3567% (0.90   0.11   1.71) =   0.914%  kept
          QD1   LEU  104 - HB3   PHE   95   9.55 +/- 0.75   0.683% *  1.8763% (1.00   0.02   0.02) =   0.017%
          QG2   ILE   89 - HB3   PHE   95   7.64 +/- 0.77   2.861% *  0.2895% (0.15   0.02   0.02) =   0.011%
          QD1   LEU   73 - HB3   PHE   95  11.50 +/- 0.99   0.282% *  1.0623% (0.57   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB3   PHE   95  12.22 +/- 1.52   0.218% *  1.3625% (0.73   0.02   0.02) =   0.004%
          QD2   LEU   80 - HB3   PHE   95  13.12 +/- 1.32   0.141% *  1.7320% (0.92   0.02   0.02) =   0.003%
    Distance limit 3.65 A violated in 3 structures by 0.45 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.745, residual support = 1.39:
          QG1   VAL   42 - HB3   PHE   95   4.20 +/- 0.80  96.088% * 66.0129% (0.65   0.75   1.42) =  98.472%  kept
          QB    ALA   64 - HB3   PHE   95   7.90 +/- 0.85   3.125% * 31.0677% (0.53   0.43   0.02) =   1.507%  kept
          QB    ALA   47 - HB3   PHE   95  10.76 +/- 0.64   0.574% *  2.0796% (0.76   0.02   0.02) =   0.019%
          HG2   LYS+ 112 - HB3   PHE   95  13.68 +/- 1.42   0.213% *  0.8399% (0.31   0.02   0.02) =   0.003%
    Distance limit 3.66 A violated in 5 structures by 0.59 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 46.2:
          QG2   VAL  107 - HB2   PHE   95   3.59 +/- 0.82  97.022% * 94.2606% (0.34   3.59  46.21) =  99.957%  kept
          HG13  ILE  119 - HB2   PHE   95   8.47 +/- 1.24   2.643% *  1.3802% (0.90   0.02   0.02) =   0.040%
          HG2   LYS+ 121 - HB2   PHE   95  11.09 +/- 0.85   0.190% *  0.8713% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  15.69 +/- 0.69   0.029% *  1.4206% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  13.66 +/- 1.23   0.062% *  0.4279% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.87 +/- 0.74   0.016% *  1.3349% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  15.70 +/- 1.29   0.038% *  0.3046% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 2 structures by 0.19 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 46.2:
        T HB    VAL  107 - HB2   PHE   95   2.86 +/- 1.11  95.990% * 99.6841% (0.80 10.00   4.30  46.21) =  99.998%  kept
          HB3   PHE   45 - HB2   PHE   95   7.84 +/- 0.99   3.827% *  0.0467% (0.38  1.00   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HB2   PHE   95  12.15 +/- 1.47   0.153% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  15.80 +/- 1.06   0.019% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.58 +/- 0.73   0.004% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.96 +/- 0.62   0.008% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 3 structures by 0.35 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.94 +/- 0.44  98.418% * 97.3666% (0.92   0.75   5.50) =  99.968%  kept
          QG2   VAL   83 - QG2   THR   94   6.42 +/- 1.50   1.560% *  1.9321% (0.69   0.02   0.02) =   0.031%
          QD2   LEU   31 - QG2   THR   94   9.91 +/- 0.83   0.022% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 0.987, residual support = 1.97:
        T HA    LYS+ 106 - HA    MET   96   3.53 +/- 1.07 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.29 A violated in 2 structures by 0.37 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   2.21 +/- 0.01  99.995% * 99.8692% (0.88  10.0   6.07  46.26) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.24 +/- 0.86   0.004% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.78 +/- 0.84   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 3.68 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 = 1.9, residual support = 9.13:
        T QE    PHE   45 - HB2   MET   96   3.81 +/- 1.32  92.624% * 98.2288% (0.49 10.00   1.90   9.13) =  99.976%  kept
        T HZ    PHE   72 - HB2   MET   96   8.94 +/- 1.17   0.775% *  1.6251% (0.76 10.00   0.02   0.02) =   0.014%
          QD    PHE   72 - HB2   MET   96   7.19 +/- 0.38   6.601% *  0.1461% (0.69  1.00   0.02   0.02) =   0.011%
    Distance limit 3.75 A violated in 3 structures by 0.42 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   4.07 +/- 0.12  99.878% * 99.4519% (0.92   6.07  46.26) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.63 +/- 0.62   0.047% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.67 +/- 0.65   0.074% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.80 +/- 1.21   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.17 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   2.88 +/- 0.17 100.000% *100.0000% (0.65  10.0   4.07 115.56) = 100.000%  kept
    Distance limit 3.66 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 = 0.719, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96   9.51 +/- 1.06  29.110% * 81.6578% (0.99   0.02   0.02) =  64.641%  kept
          QD    PHE   72 - HB3   MET   96   8.03 +/- 0.38  70.890% * 18.3422% (0.22   0.02   0.02) =  35.359%  kept
    Distance limit 3.60 A violated in 20 structures by 3.94 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   2.51 +/- 0.19 100.000% *100.0000% (0.65  10.0   3.97 115.56) = 100.000%  kept
    Distance limit 3.60 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   2.15 +/- 0.50  99.743% * 94.5898% (0.73   2.00  16.41) =  99.998%  kept
          QG1   VAL   41 - HB2   MET   96   7.44 +/- 0.63   0.178% *  0.6853% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  104 - HB2   MET   96   9.06 +/- 0.89   0.045% *  1.0431% (0.80   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   MET   96  10.92 +/- 0.92   0.015% *  1.2768% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   18 - HB2   MET   96  10.88 +/- 0.85   0.014% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  12.61 +/- 0.94   0.006% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.69, support = 1.48, residual support = 5.6:
          QD1   ILE   89 - HB2   MET   96   5.91 +/- 1.34  58.789% * 96.5403% (0.69   1.50   5.67) =  98.760%  kept
          QD2   LEU   31 - HB2   MET   96   7.37 +/- 0.65  20.787% *  1.7298% (0.92   0.02   0.02) =   0.626%  kept
          QG2   VAL   83 - HB2   MET   96   7.42 +/- 1.46  20.423% *  1.7298% (0.92   0.02   0.02) =   0.615%  kept
    Distance limit 3.86 A violated in 11 structures by 1.32 A, kept.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.685, support = 1.5, residual support = 5.66:
        T QD1   ILE   89 - HB3   MET   96   4.52 +/- 1.32  81.660% * 98.6699% (0.69 10.00   1.50   5.67) =  99.698%  kept
          QG2   VAL   83 - HB3   MET   96   6.96 +/- 1.51  18.340% *  1.3301% (0.41  1.00   0.34   0.02) =   0.302%
    Distance limit 3.85 A violated in 9 structures by 0.92 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.3:
          HN    PHE   97 - HG2   MET   96   3.72 +/- 0.38  99.744% * 99.1286% (0.92   5.60  46.26) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  11.45 +/- 1.45   0.176% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.99 +/- 1.05   0.028% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.18 +/- 1.00   0.041% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.04 +/- 2.10   0.010% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.51 +/- 1.19   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  38.04 +/- 3.40   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.29 +/- 2.31   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.02, residual support = 46.3:
          HN    PHE   97 - HG3   MET   96   3.40 +/- 0.34  99.973% * 99.5667% (0.54   6.02  46.26) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.39 +/- 1.11   0.021% *  0.3308% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.81 +/- 1.01   0.006% *  0.1025% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.267, support = 2.54, residual support = 9.86:
          HG13  ILE  103 - HG2   MET   96   3.01 +/- 0.60  96.368% * 50.2301% (0.25   2.59  10.06) =  97.670%  kept
          QG2   THR   94 - HG2   MET   96   5.99 +/- 0.53   2.645% * 43.5612% (0.99   0.56   1.18) =   2.325%  kept
          QG2   THR   94 - HB2   PRO   52   9.90 +/- 1.76   0.177% *  0.4530% (0.29   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB2   PRO   52  11.39 +/- 2.02   0.130% *  0.4480% (0.29   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52  10.24 +/- 2.78   0.570% *  0.0705% (0.05   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HB2   PRO   52  11.38 +/- 1.59   0.081% *  0.3965% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  15.05 +/- 1.35   0.019% *  1.2459% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  20.03 +/- 1.17   0.002% *  1.5251% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  21.16 +/- 1.34   0.001% *  1.3497% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  17.26 +/- 1.86   0.005% *  0.2401% (0.15   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  20.03 +/- 2.24   0.002% *  0.1140% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  26.44 +/- 1.84   0.000% *  0.3660% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.721, support = 2.69, residual support = 10.1:
          QD1   ILE  103 - HG2   MET   96   3.08 +/- 0.79  78.746% * 22.5363% (0.49   2.09  10.06) =  54.140%  kept
          QG2   ILE  103 - HG2   MET   96   4.32 +/- 0.68  20.073% * 74.8704% (1.00   3.39  10.06) =  45.848%  kept
          QD2   LEU   40 - HG2   MET   96   7.61 +/- 0.64   0.764% *  0.4186% (0.95   0.02   0.02) =   0.010%
          QD1   LEU   67 - HG2   MET   96  11.21 +/- 2.35   0.113% *  0.4271% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96   9.66 +/- 1.14   0.188% *  0.1661% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.74 +/- 0.82   0.032% *  0.2684% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  15.68 +/- 0.77   0.008% *  0.4386% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  14.00 +/- 1.07   0.017% *  0.1366% (0.31   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.15 +/- 0.97   0.022% *  0.0401% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  17.40 +/- 1.97   0.006% *  0.1254% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  17.79 +/- 2.72   0.005% *  0.1288% (0.29   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  15.35 +/- 2.17   0.013% *  0.0488% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.23 +/- 1.82   0.005% *  0.1297% (0.29   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.54 +/- 1.65   0.002% *  0.1230% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  17.65 +/- 1.84   0.004% *  0.0633% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  22.09 +/- 1.66   0.001% *  0.0788% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.365, support = 0.302, residual support = 0.944:
          HG    LEU   98 - HG3   MET   96   4.71 +/- 1.18  40.202% *  9.4049% (0.25   0.24   0.33) =  39.986%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.81 +/- 1.38  47.022% *  7.5466% (0.61   0.08   1.97) =  37.528%  kept
          QB    LEU   98 - HG3   MET   96   5.49 +/- 0.61  11.095% * 17.5405% (0.14   0.82   0.33) =  20.582%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.48 +/- 0.89   0.307% * 52.7503% (0.59   0.57   0.22) =   1.712%  kept
          HB    VAL   42 - HG3   MET   96   8.71 +/- 0.97   0.717% *  1.7301% (0.54   0.02   0.02) =   0.131%
          QB    ALA   84 - HG3   MET   96  10.57 +/- 1.06   0.250% *  1.0150% (0.32   0.02   0.02) =   0.027%
          HB3   LEU   73 - HG3   MET   96  13.47 +/- 1.80   0.054% *  1.8249% (0.57   0.02   0.02) =   0.010%
          HB3   ASP-  44 - HG3   MET   96  10.54 +/- 0.63   0.239% *  0.3818% (0.12   0.02   0.02) =   0.010%
          HB3   PRO   93 - HG3   MET   96  12.95 +/- 0.70   0.073% *  1.0922% (0.34   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HG3   MET   96  16.72 +/- 1.35   0.015% *  1.6113% (0.51   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HG3   MET   96  18.28 +/- 0.75   0.008% *  1.7301% (0.54   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  19.39 +/- 1.13   0.006% *  1.9121% (0.60   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  18.32 +/- 1.40   0.009% *  0.5954% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.91 +/- 1.77   0.002% *  0.8649% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.19 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 = 0.169, support = 2.33, residual support = 9.71:
          HG13  ILE  103 - HG3   MET   96   2.87 +/- 0.74  95.754% * 43.6698% (0.15  1.00   2.40  10.06) =  96.046%  kept
          QG2   THR   94 - HG3   MET   96   5.61 +/- 0.66   4.213% * 40.8500% (0.60  1.00   0.56   1.18) =   3.953%  kept
          HB3   LEU   71 - HG3   MET   96  15.49 +/- 1.56   0.024% *  1.1683% (0.49  1.00   0.02   0.02) =   0.001%
        T HD2   LYS+ 112 - HG3   MET   96  20.61 +/- 1.43   0.001% * 12.6565% (0.53 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG3   MET   96  19.43 +/- 1.06   0.002% *  1.4302% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.59 +/- 1.71   0.005% *  0.2251% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.458, support = 2.56, residual support = 10.1:
          QG2   ILE  103 - HG3   MET   96   4.02 +/- 0.67  29.154% * 71.1398% (0.61   2.87  10.06) =  52.672%  kept
          QD1   ILE  103 - HG3   MET   96   3.26 +/- 0.80  69.572% * 26.7789% (0.30   2.22  10.06) =  47.315%  kept
          QD2   LEU   40 - HG3   MET   96   7.81 +/- 0.76   0.860% *  0.4696% (0.57   0.02   0.02) =   0.010%
          QD1   LEU   67 - HG3   MET   96  11.31 +/- 2.47   0.132% *  0.4791% (0.59   0.02   0.02) =   0.002%
          HB    VAL   75 - HG3   MET   96   9.82 +/- 1.20   0.222% *  0.1863% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  13.12 +/- 0.84   0.031% *  0.3011% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.84 +/- 0.83   0.009% *  0.4920% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.75 +/- 1.11   0.020% *  0.1532% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.49, residual support = 11.1:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.49  11.09) = 100.000%  kept
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.74, residual support = 62.7:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.988% * 99.8692% (0.90  10.0   4.74  62.68) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.73 +/- 0.76   0.010% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.45 +/- 0.86   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.53 +/- 0.15  99.986% * 99.9164% (0.45  10.0 10.00   2.44  62.68) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  11.92 +/- 1.71   0.014% *  0.0836% (0.38   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 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.56, residual support = 56.9:
          HN    ASP- 105 - HB2   PHE   97   2.25 +/- 0.60  99.993% * 99.8951% (0.95   7.56  56.87) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.95 +/- 1.50   0.007% *  0.1049% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 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   2.47 +/- 0.32  99.989% * 99.8692% (0.90  10.0   4.85  62.68) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.16 +/- 0.97   0.009% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.62 +/- 1.08   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.982, support = 3.51, residual support = 54.5:
        T HB3   ASP- 105 - HB2   PHE   97   3.18 +/- 0.84  84.081% * 73.9913% (0.99 10.00   3.64  56.87) =  95.093%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.04 +/- 0.97  12.603% * 25.4624% (0.80 10.00   0.85   8.68) =   4.905%  kept
          HB    ILE  103 - HB2   PHE   97   6.89 +/- 0.39   0.684% *  0.0747% (1.00  1.00   0.02   1.48) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   5.68 +/- 0.68   2.567% *  0.0148% (0.20  1.00   0.02   1.48) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  13.11 +/- 2.34   0.032% *  0.0745% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  14.25 +/- 1.40   0.011% *  0.0307% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  16.18 +/- 0.61   0.004% *  0.0706% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.10 +/- 1.30   0.007% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.55 +/- 1.24   0.002% *  0.0670% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.03 +/- 0.64   0.006% *  0.0186% (0.25  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.27 +/- 1.04   0.001% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  22.18 +/- 1.14   0.001% *  0.0745% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.82 +/- 1.13   0.001% *  0.0307% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3069 (1.01, 2.99, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.307, support = 4.56, residual support = 17.1:
        T HB2   LEU  104 - HB2   PHE   97   3.49 +/- 0.62  62.629% * 84.0214% (0.31 10.00   4.68  18.01) =  94.514%  kept
          QG2   ILE  103 - HB2   PHE   97   4.20 +/- 0.53  25.560% *  9.8229% (0.25  1.00   2.89   1.48) =   4.510%  kept
          QD2   LEU   40 - HB2   PHE   97   4.96 +/- 0.51   9.782% *  5.5387% (0.38  1.00   1.08   0.73) =   0.973%  kept
          QD1   LEU   67 - HB2   PHE   97   9.31 +/- 2.95   1.271% *  0.0929% (0.34  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   8.19 +/- 0.75   0.527% *  0.0539% (0.20  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97  10.46 +/- 1.28   0.172% *  0.1651% (0.61  1.00   0.02   0.29) =   0.001%
          HB    VAL   75 - HB2   PHE   97  11.73 +/- 0.89   0.053% *  0.2575% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.65 +/- 1.06   0.007% *  0.0477% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.325, support = 1.82, residual support = 7.82:
        T QD2   LEU   40 - HB3   PHE   97   4.15 +/- 1.05  27.439% * 65.7369% (0.36 10.00   0.75   0.73) =  55.291%  kept
          HB2   LEU  104 - HB3   PHE   97   3.25 +/- 0.62  56.155% * 23.7262% (0.29  1.00   3.29  18.01) =  40.841%  kept
          QG2   ILE  103 - HB3   PHE   97   4.72 +/- 1.02  13.257% *  9.4782% (0.24  1.00   1.63   1.48) =   3.852%  kept
          QD1   LEU   67 - HB3   PHE   97   8.80 +/- 3.10   2.835% *  0.1593% (0.32  1.00   0.02   0.02) =   0.014%
          QD1   ILE  119 - HB3   PHE   97  10.58 +/- 1.43   0.122% *  0.2833% (0.57  1.00   0.02   0.29) =   0.001%
          HB    VAL   75 - HB3   PHE   97  11.87 +/- 1.07   0.038% *  0.4418% (0.89  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB3   PHE   97   9.11 +/- 0.68   0.149% *  0.0924% (0.19  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.53 +/- 1.33   0.005% *  0.0818% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 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   2.48 +/- 0.17  99.984% * 99.8821% (0.87  10.0 10.00   2.74  62.68) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  12.41 +/- 2.07   0.016% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.19 +/- 1.32   0.000% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.5, residual support = 56.9:
          HN    ASP- 105 - HB3   PHE   97   2.81 +/- 0.59  99.991% * 99.0806% (0.46   5.50  56.87) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.68 +/- 1.73   0.008% *  0.6418% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.90 +/- 1.29   0.001% *  0.2777% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.75 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   3.22 +/- 0.46  99.960% * 99.8692% (0.85  10.0   5.20  62.68) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.80 +/- 0.89   0.032% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.28 +/- 1.08   0.008% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.728, support = 2.22, residual support = 55.1:
          HB3   ASP- 105 - HB3   PHE   97   3.74 +/- 0.83  87.079% * 66.4371% (0.72  1.00   2.28  56.87) =  96.345%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.06 +/- 0.81   9.561% * 21.2074% (0.93  1.00   0.57   8.68) =   3.377%  kept
          HB    ILE  103 - HB3   PHE   97   7.27 +/- 0.97   2.939% *  5.6105% (0.65  1.00   0.21   1.48) =   0.275%
          HG3   PRO   68 - HB3   PHE   97  12.38 +/- 2.35   0.296% *  0.4930% (0.61  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HB3   PHE   97  14.15 +/- 0.98   0.034% *  0.5534% (0.69  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  18.11 +/- 1.46   0.009% *  1.6968% (0.21 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.63 +/- 1.43   0.019% *  0.6611% (0.82  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  15.63 +/- 0.91   0.018% *  0.6611% (0.82  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  15.32 +/- 1.10   0.022% *  0.4010% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.34 +/- 1.56   0.006% *  0.7035% (0.87  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  19.72 +/- 1.14   0.005% *  0.7355% (0.91  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.28 +/- 0.93   0.010% *  0.2860% (0.36  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.72 +/- 1.44   0.002% *  0.5534% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.291, support = 4.46, residual support = 30.2:
          HG12  ILE  103 - HA    LEU   98   3.53 +/- 0.47  81.305% * 52.9429% (0.25   4.80  31.98) =  91.575%  kept
          QB    LYS+ 102 - HA    LEU   98   5.11 +/- 0.40  11.872% * 20.1485% (0.98   0.46   2.24) =   5.089%  kept
          HB    VAL   41 - HA    LEU   98   5.93 +/- 0.94   6.708% * 23.3636% (0.38   1.41  24.34) =   3.334%  kept
          HB2   LEU   71 - HA    LEU   98  11.84 +/- 1.00   0.076% *  0.8830% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    LEU   98  14.64 +/- 1.00   0.020% *  0.5010% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  16.68 +/- 0.56   0.009% *  0.8850% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  17.69 +/- 0.56   0.006% *  0.7392% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  18.26 +/- 1.19   0.005% *  0.5368% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 32.0:
          HA    ILE  103 - HA    LEU   98   2.18 +/- 0.31  99.111% * 94.1073% (0.73   2.96  31.98) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   5.34 +/- 0.52   0.865% *  0.2437% (0.28   0.02   9.31) =   0.002%
          HA    ASP-  44 - HA    LEU   98  11.39 +/- 0.52   0.007% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.17 +/- 0.39   0.014% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  16.34 +/- 1.97   0.002% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  18.56 +/- 1.77   0.001% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.11 +/- 1.70   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  21.42 +/- 0.91   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.32 +/- 0.84   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.60 +/- 1.67   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  29.43 +/- 1.80   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.81 +/- 0.81   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.47:
          HN    ASP- 105 - HA    LEU   98   5.13 +/- 0.74  99.611% * 99.7774% (0.95   3.56   5.47) =  99.999%  kept
          HN    ALA   88 - HA    LEU   98  16.18 +/- 1.80   0.389% *  0.2226% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 13 structures by 1.25 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.18, residual support = 17.2:
      O   HN    LYS+  99 - HA    LEU   98   2.28 +/- 0.05  99.953% * 99.7964% (0.80  10.0   4.18  17.15) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  10.80 +/- 3.47   0.041% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.79 +/- 0.79   0.006% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  21.93 +/- 0.93   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 3.89, residual support = 9.31:
          HN    LEU  104 - HA    LEU   98   3.30 +/- 0.53  99.936% * 99.6633% (0.92   3.89   9.31) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  11.84 +/- 0.44   0.064% *  0.3367% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.12 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 83.4:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98  10.0   5.21  83.36) = 100.000%  kept
    Distance limit 3.55 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 = 0.453, support = 3.14, residual support = 26.0:
        T HB    VAL   41 - QB    LEU   98   3.48 +/- 1.05  46.476% * 72.0330% (0.42 10.00   2.96  24.34) =  78.034%  kept
          HG12  ILE  103 - QB    LEU   98   3.28 +/- 0.59  48.988% * 18.5973% (0.56  1.00   3.89  31.98) =  21.235%  kept
          HB    ILE  103 - QB    LEU   98   4.94 +/- 0.65   4.175% *  7.4772% (0.60  1.00   1.47  31.98) =   0.728%  kept
        T QB    LYS+ 106 - QB    LEU   98   7.76 +/- 0.48   0.186% *  0.4568% (0.27 10.00   0.02   0.02) =   0.002%
        T QB    LYS+  33 - QB    LEU   98  10.22 +/- 0.82   0.038% *  0.7203% (0.42 10.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QB    LEU   98   8.56 +/- 0.78   0.111% *  0.0898% (0.53  1.00   0.02   5.47) =   0.000%
          HG3   PRO   68 - QB    LEU   98  13.81 +/- 1.93   0.011% *  0.1075% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.59 +/- 0.83   0.008% *  0.0457% (0.27  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.45 +/- 1.49   0.002% *  0.1327% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.77 +/- 0.95   0.002% *  0.0505% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  18.00 +/- 1.26   0.002% *  0.0608% (0.36  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  21.60 +/- 1.21   0.000% *  0.1327% (0.78  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  23.77 +/- 0.92   0.000% *  0.0957% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.82, residual support = 17.2:
          HN    LYS+  99 - QB    LEU   98   2.96 +/- 0.14  99.677% * 97.3339% (0.27   3.82  17.15) =  99.997%  kept
          HN    ASN   35 - QB    LEU   98   8.59 +/- 0.67   0.204% *  1.3796% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98  10.65 +/- 2.85   0.116% *  0.4118% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    LEU   98  18.43 +/- 0.89   0.002% *  0.2548% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  23.42 +/- 1.42   0.000% *  0.6199% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.26, residual support = 24.3:
          HN    VAL   41 - QB    LEU   98   3.62 +/- 0.57 100.000% *100.0000% (0.85   3.26  24.34) = 100.000%  kept
    Distance limit 3.94 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.17, residual support = 83.4:
      O   HN    LEU   98 - QB    LEU   98   2.96 +/- 0.17 100.000% *100.0000% (0.85  10.0   5.17  83.36) = 100.000%  kept
    Distance limit 3.27 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 = 83.4:
      O   HA    LEU   98 - HG    LEU   98   3.44 +/- 0.39 100.000% *100.0000% (0.69  10.0   4.04  83.36) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.1, residual support = 83.4:
          HN    LEU   98 - HG    LEU   98   2.58 +/- 0.69 100.000% *100.0000% (0.98   4.10  83.36) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.45, residual support = 32.0:
        T HA    ILE  103 - QD1   LEU   98   2.65 +/- 0.47  98.976% * 95.3462% (0.25 10.00   4.45  31.98) =  99.979%  kept
        T HA    LEU  104 - QD1   LEU   98   6.27 +/- 0.44   0.643% *  2.9222% (0.76 10.00   0.02   9.31) =   0.020%
          HA    ASP-  44 - QD1   LEU   98   7.83 +/- 0.98   0.285% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  10.79 +/- 1.54   0.065% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  12.61 +/- 1.40   0.018% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  13.39 +/- 1.62   0.011% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.10 +/- 0.80   0.002% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.47 +/- 1.36   0.000% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.86 +/- 1.52   0.000% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.763, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98   9.94 +/- 0.99  47.415% * 33.8723% (0.84   0.02   0.02) =  54.411%  kept
          QD    PHE   59 - QD1   LEU   98  11.34 +/- 0.93  22.315% * 33.8723% (0.84   0.02   0.02) =  25.607%  kept
          HE21  GLN   30 - QD1   LEU   98  10.82 +/- 1.24  29.209% * 19.7390% (0.49   0.02   0.02) =  19.533%  kept
          HH2   TRP   49 - QD1   LEU   98  19.42 +/- 1.53   1.061% * 12.5164% (0.31   0.02   0.02) =   0.450%
    Distance limit 3.52 A violated in 20 structures by 5.18 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 17.0:
        T QD1   LEU  104 - HB2   LYS+  99   2.03 +/- 0.34  99.986% * 98.4796% (0.69 10.00   2.96  17.00) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  11.66 +/- 1.17   0.007% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  16.19 +/- 1.04   0.001% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  13.67 +/- 1.20   0.003% *  0.2212% (0.15 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.27 +/- 1.52   0.001% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  16.70 +/- 1.43   0.001% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.90 +/- 1.49   0.000% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.945, support = 2.55, residual support = 12.7:
        T QD2   LEU   40 - HB2   LYS+  99   3.59 +/- 0.62  95.017% * 96.7000% (0.95 10.00   2.55  12.70) =  99.898%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.92 +/- 0.56   3.176% *  2.9183% (1.00  1.00   0.57   0.02) =   0.101%
          QD1   ILE  103 - HB2   LYS+  99   7.94 +/- 0.67   1.380% *  0.0498% (0.49  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  11.16 +/- 2.17   0.258% *  0.0987% (0.97  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  11.52 +/- 0.78   0.108% *  0.0620% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  14.12 +/- 1.71   0.043% *  0.0316% (0.31  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  16.25 +/- 0.86   0.015% *  0.0384% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.32 +/- 1.19   0.004% *  0.1013% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.21 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.78, residual support = 172.0:
      O   HN    LYS+  99 - HB2   LYS+  99   2.79 +/- 0.19  99.855% * 99.4797% (0.31  10.0   4.78 172.02) = 100.000%  kept
          HE1   HIS  122 - HB2   LYS+  99  10.92 +/- 3.62   0.127% *  0.0804% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   LYS+  99  12.42 +/- 1.09   0.018% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.47 +/- 1.54   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.78 +/- 2.34   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3092 (8.34, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 172.0:
      O   HN    LYS+  99 - HA    LYS+  99   2.93 +/- 0.01  99.773% * 99.7964% (0.80  10.0   5.18 172.02) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  10.68 +/- 3.36   0.143% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   9.87 +/- 0.92   0.083% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  18.98 +/- 1.36   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3093 (10.12, 4.38, 58.15 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.83, residual support = 39.8:
      O   HN    GLU- 100 - HA    LYS+  99   2.19 +/- 0.04 100.000% *100.0000% (0.84  10.0   6.83  39.76) = 100.000%  kept
    Distance limit 2.92 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 = 0.91, support = 5.14, residual support = 177.5:
      O   QE    LYS+  99 - HG2   LYS+  99   2.27 +/- 0.36  67.592% * 79.1619% (0.99  10.0   5.21 172.02) =  88.978%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.73 +/- 0.53  32.191% * 20.5905% (0.26  10.0   4.58 221.86) =  11.022%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.80 +/- 1.53   0.112% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.50 +/- 1.11   0.026% *  0.0610% (0.76   1.0   0.02   1.68) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.62 +/- 1.29   0.055% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.19 +/- 0.52   0.017% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.02 +/- 1.49   0.007% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.33 +/- 0.86   0.000% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.93 +/- 0.78   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.94 +/- 0.85   0.000% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 172.0:
      O T HA    LYS+  99 - HG2   LYS+  99   2.55 +/- 0.31  74.501% * 98.9579% (0.84  10.0 10.00   7.06 172.02) =  99.985%  kept
          HA    LEU   40 - HG2   LYS+  99   3.80 +/- 0.73   9.166% *  0.0671% (0.57   1.0  1.00   0.02  12.70) =   0.008%
          HA    ASN   35 - HG2   LYS+  38   3.96 +/- 1.31  16.096% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.007%
        T HA    LYS+  99 - HG2   LYS+  38   8.42 +/- 0.75   0.087% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   LYS+  99   9.49 +/- 1.16   0.036% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.04 +/- 0.52   0.104% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  15.13 +/- 2.40   0.003% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  15.17 +/- 1.52   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  13.99 +/- 1.70   0.004% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.65 +/- 1.45   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.02 +/- 2.01   0.000% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  18.42 +/- 2.78   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  22.78 +/- 1.17   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  22.01 +/- 2.58   0.000% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.70 +/- 1.02   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  29.64 +/- 1.26   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.77 +/- 0.97   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.37 +/- 1.36   0.000% *  0.0157% (0.13   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 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0997, support = 5.0, residual support = 16.5:
          HA    SER   37 - HA    LYS+  38   5.23 +/- 0.02  36.459% * 43.4786% (0.05  1.00   5.55  18.42) =  89.826%  kept
          HA    LEU   40 - HA    GLU- 100   5.07 +/- 0.51  46.142% *  2.7171% (0.80  1.00   0.02   0.02) =   7.104%  kept
          HA    LEU   40 - HA    LYS+  38   6.16 +/- 0.06  13.717% *  3.4324% (0.05  1.00   0.42   0.02) =   2.668%  kept
          HA    SER   37 - HA    GLU- 100   8.59 +/- 0.91   2.323% *  2.5932% (0.76  1.00   0.02   0.02) =   0.341%
          HA    VAL   42 - HA    GLU- 100  10.46 +/- 0.50   0.570% *  0.7554% (0.22  1.00   0.02   0.02) =   0.024%
          HA    GLU-  15 - HA    GLU- 100  14.99 +/- 1.81   0.085% *  3.2098% (0.95  1.00   0.02   0.02) =   0.016%
          HA    GLN   17 - HA    GLU- 100  16.03 +/- 1.79   0.049% *  2.5932% (0.76  1.00   0.02   0.02) =   0.007%
        T HA    PRO   58 - HA    GLU- 100  25.05 +/- 1.04   0.003% * 31.3231% (0.92 10.00   0.02   0.02) =   0.005%
          HA    SER   13 - HA    GLU- 100  20.52 +/- 2.26   0.013% *  3.2098% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLU-  15 - HA    LYS+  38  12.86 +/- 1.41   0.218% *  0.1940% (0.06  1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - HA    GLU- 100  19.46 +/- 2.29   0.020% *  0.6715% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.37 +/- 0.54   0.005% *  2.8342% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  11.84 +/- 0.37   0.270% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - HA    LYS+  38  15.03 +/- 1.33   0.070% *  0.1567% (0.05  1.00   0.02   0.02) =   0.001%
          HA    SER   13 - HA    LYS+  38  17.90 +/- 2.07   0.031% *  0.1940% (0.06  1.00   0.02   0.02) =   0.000%
        T HA    PRO   58 - HA    LYS+  38  25.82 +/- 0.87   0.003% *  1.8927% (0.06 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  26.29 +/- 1.29   0.002% *  0.4592% (0.14  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.37 +/- 0.50   0.004% *  0.1713% (0.05  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  20.67 +/- 2.38   0.014% *  0.0406% (0.01  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  27.69 +/- 1.17   0.002% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 8 structures by 0.85 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   3.05 +/- 0.33  97.542% * 99.9940% (1.00  10.0   3.86  14.94) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.19 +/- 0.77   2.458% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.24 +/- 0.10  98.291% * 99.9940% (0.84  10.0   6.39  75.74) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.79 +/- 0.75   1.709% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.77, support = 0.02, residual support = 0.02:
        T HA    LYS+  33 - HB2   GLU- 100  13.07 +/- 1.54  10.579% * 28.3278% (1.00 10.00   0.02   0.02) =  48.409%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.25 +/- 1.76  18.178% *  8.7627% (0.31 10.00   0.02   0.02) =  25.731%  kept
          HA    VAL   70 - HB2   GLU- 100  11.04 +/- 0.85  30.166% *  2.3714% (0.84  1.00   0.02   0.02) =  11.555%  kept
        T HA    GLU-  29 - HB2   GLU- 100  17.29 +/- 1.60   1.936% * 27.8286% (0.98 10.00   0.02   0.02) =   8.704%  kept
          HB2   SER   37 - HB2   GLU- 100  10.57 +/- 0.73  35.893% *  0.5618% (0.20  1.00   0.02   0.02) =   3.258%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.68 +/- 1.19   0.309% * 23.7140% (0.84 10.00   0.02   0.02) =   1.183%  kept
          HA    VAL   18 - HB2   GLU- 100  16.88 +/- 1.12   2.229% *  2.7399% (0.97  1.00   0.02   0.02) =   0.986%  kept
          HB2   SER   82 - HB2   GLU- 100  25.96 +/- 2.14   0.223% *  2.6208% (0.92  1.00   0.02   0.02) =   0.095%
          HA    ALA   88 - HB2   GLU- 100  24.52 +/- 2.17   0.360% *  0.9684% (0.34  1.00   0.02   0.02) =   0.056%
          HA    SER   48 - HB2   GLU- 100  30.43 +/- 0.89   0.068% *  1.6074% (0.57  1.00   0.02   0.02) =   0.018%
          HD2   PRO   52 - HB2   GLU- 100  31.28 +/- 1.07   0.058% *  0.4972% (0.18  1.00   0.02   0.02) =   0.005%
    Distance limit 3.36 A violated in 20 structures by 5.52 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 5.27, residual support = 39.6:
          HG2   LYS+  99 - HG2   GLU- 100   4.11 +/- 1.07  58.880% * 97.5019% (0.45   5.29  39.76) =  99.668%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.78 +/- 1.64  41.084% *  0.4654% (0.57   0.02   0.02) =   0.332%
          HB2   LEU   31 - HG2   GLU- 100  13.31 +/- 1.53   0.030% *  0.1440% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.35 +/- 1.14   0.002% *  0.8058% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  21.04 +/- 1.81   0.002% *  0.7372% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  21.68 +/- 0.95   0.001% *  0.1627% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  27.58 +/- 2.70   0.000% *  0.1830% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 7 structures by 0.85 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.09, residual support = 39.7:
          HG2   LYS+  99 - HG3   GLU- 100   3.16 +/- 1.51  79.681% * 96.7942% (0.45   4.09  39.76) =  99.843%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.81 +/- 1.65  20.291% *  0.5973% (0.57   0.02   0.02) =   0.157%
          HB2   LEU   31 - HG3   GLU- 100  13.41 +/- 1.54   0.024% *  0.1848% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  19.82 +/- 1.11   0.001% *  1.0340% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  20.35 +/- 1.74   0.001% *  0.9461% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.74 +/- 0.77   0.001% *  0.2088% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  26.44 +/- 2.80   0.000% *  0.2349% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 4 structures by 0.56 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   3.00 +/- 0.42  90.325% * 99.7364% (1.00  10.0   4.46  75.74) =  99.998%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.02 +/- 1.43   9.674% *  0.0198% (0.20   1.0   0.02   0.02) =   0.002%
          HA    VAL   83 - HG3   GLU- 100  21.59 +/- 1.65   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.29 +/- 1.11   0.000% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  28.31 +/- 0.92   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.31, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   2.95 +/- 0.62 100.000% *100.0000% (0.97   4.31  75.74) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.49, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.36 +/- 0.64 100.000% *100.0000% (0.84   6.49  75.74) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 159.4:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.56 +/- 0.05  99.416% * 99.6342% (1.00  10.0   4.65 159.43) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.83 +/- 1.59   0.287% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   7.18 +/- 0.53   0.226% *  0.0272% (0.27   1.0   0.02   0.21) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.54 +/- 0.38   0.038% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.36 +/- 1.30   0.016% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.18 +/- 1.37   0.007% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.83 +/- 1.34   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.19 +/- 1.39   0.007% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.09 +/- 0.45  99.725% * 98.9465% (1.00   5.46  22.41) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   8.98 +/- 1.01   0.257% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  18.60 +/- 1.50   0.003% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  18.05 +/- 1.20   0.004% *  0.1541% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  18.08 +/- 0.73   0.003% *  0.1908% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.89 +/- 0.84   0.002% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.11 +/- 1.31   0.004% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.06 +/- 1.35   0.001% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.4:
          HN    LYS+ 102 - HG2   LYS+ 102   3.77 +/- 0.31  98.750% * 99.2113% (0.73   4.42 159.43) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.73 +/- 1.57   1.098% *  0.2323% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  14.36 +/- 2.13   0.052% *  0.3256% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  12.82 +/- 1.56   0.082% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  17.08 +/- 1.88   0.019% *  0.1225% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.565, support = 0.0198, residual support = 0.0198:
        T QB    SER  117 - HA    ILE  103  13.68 +/- 1.30   7.288% *  7.5887% (0.34 10.00   0.02   0.02) =  27.358%  kept
        T QB    SER   85 - HA    ILE  103  16.97 +/- 1.60   2.487% * 19.9520% (0.90 10.00   0.02   0.02) =  24.546%  kept
          HA2   GLY   16 - HA    THR   39   9.63 +/- 2.07  59.060% *  0.6592% (0.30  1.00   0.02   0.02) =  19.259%  kept
          HB    THR   94 - HA    ILE  103  13.11 +/- 0.72   8.620% *  1.7002% (0.76  1.00   0.02   0.02) =   7.250%  kept
          HA    LYS+ 121 - HA    ILE  103  13.42 +/- 1.38   9.096% *  1.5282% (0.69  1.00   0.02   0.02) =   6.877%  kept
        T QB    SER   48 - HA    ILE  103  21.66 +/- 1.18   0.457% * 19.2979% (0.87 10.00   0.02   0.02) =   4.359%  kept
          HA    ALA  120 - HA    ILE  103  16.88 +/- 1.34   2.115% *  2.2050% (0.99  1.00   0.02   0.02) =   2.307%  kept
          HA    LYS+  65 - HA    ILE  103  18.80 +/- 0.90   1.083% *  1.8582% (0.84  1.00   0.02   0.02) =   0.996%  kept
          HA    LYS+  65 - HA    THR   39  15.63 +/- 0.90   3.230% *  0.6139% (0.28  1.00   0.02   0.02) =   0.981%  kept
        T QB    SER  117 - HA    THR   39  19.59 +/- 1.41   0.771% *  2.5072% (0.11 10.00   0.02   0.02) =   0.957%  kept
          HA2   GLY   16 - HA    ILE  103  18.66 +/- 1.76   0.949% *  1.9952% (0.90  1.00   0.02   0.02) =   0.936%  kept
        T QB    SER   85 - HA    THR   39  23.72 +/- 1.17   0.287% *  6.5917% (0.30 10.00   0.02   0.02) =   0.934%  kept
        T HA2   GLY   51 - HA    ILE  103  26.99 +/- 0.89   0.116% * 13.4936% (0.61 10.00   0.02   0.02) =   0.771%  kept
        T HD2   PRO   52 - HA    ILE  103  23.50 +/- 1.00   0.265% *  5.5474% (0.25 10.00   0.02   0.02) =   0.728%  kept
          HA    LYS+ 121 - HA    THR   39  16.53 +/- 1.55   2.245% *  0.5049% (0.23  1.00   0.02   0.02) =   0.561%  kept
        T QB    SER   48 - HA    THR   39  26.11 +/- 0.73   0.151% *  6.3756% (0.29 10.00   0.02   0.02) =   0.478%
          HA    ALA  120 - HA    THR   39  18.74 +/- 1.79   1.163% *  0.7285% (0.33  1.00   0.02   0.02) =   0.419%
          HB    THR   94 - HA    THR   39  21.06 +/- 0.53   0.515% *  0.5617% (0.25  1.00   0.02   0.02) =   0.143%
        T HA2   GLY   51 - HA    THR   39  32.71 +/- 0.61   0.037% *  4.4580% (0.20 10.00   0.02   0.02) =   0.081%
        T HD2   PRO   52 - HA    THR   39  29.87 +/- 1.04   0.064% *  1.8327% (0.08 10.00   0.02   0.02) =   0.058%
    Distance limit 3.10 A violated in 20 structures by 5.45 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.96, residual support = 36.8:
      O   HN    LEU  104 - HA    ILE  103   2.33 +/- 0.09  99.966% * 99.8797% (0.92  10.0   5.96  36.79) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.26 +/- 0.49   0.027% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  13.48 +/- 0.51   0.003% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.77 +/- 0.42   0.004% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.74, residual support = 38.3:
      O   HN    THR   39 - HA    THR   39   2.87 +/- 0.02  95.813% * 72.7050% (0.33  10.0   3.74  38.49) =  98.541%  kept
          HN    LYS+ 102 - HA    ILE  103   4.92 +/- 0.22   3.929% * 26.2382% (0.65   1.0   3.65  22.41) =   1.458%  kept
          HN    GLU-  36 - HA    THR   39   8.47 +/- 0.14   0.147% *  0.0613% (0.28   1.0   0.02   0.10) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.74 +/- 1.49   0.017% *  0.2215% (1.00   1.0   0.02   0.54) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.06 +/- 1.24   0.067% *  0.0475% (0.21   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.74 +/- 0.50   0.013% *  0.2201% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.31 +/- 0.84   0.005% *  0.1855% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.85 +/- 1.04   0.002% *  0.1081% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.50 +/- 1.45   0.002% *  0.0439% (0.20   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.76 +/- 0.43   0.002% *  0.0357% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.05 +/- 0.88   0.002% *  0.0343% (0.15   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  20.60 +/- 1.25   0.001% *  0.0732% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.99 +/- 0.82   0.001% *  0.0113% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.45 +/- 0.77   0.000% *  0.0145% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.45, residual support = 32.0:
        T QD1   LEU   98 - HA    ILE  103   2.65 +/- 0.47  99.923% * 99.6453% (0.41 10.00   4.45  31.98) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39  10.12 +/- 0.39   0.054% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  11.82 +/- 0.75   0.019% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  15.49 +/- 0.84   0.004% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.401, support = 2.23, residual support = 3.95:
          HN    ASP- 105 - QG2   ILE  103   3.28 +/- 0.45  97.108% * 24.9057% (0.38   2.14   2.48) =  92.638%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.31 +/- 0.20   2.578% * 74.5371% (0.73   3.31  22.41) =   7.360%  kept
          HD1   TRP   87 - QG2   ILE  103  10.17 +/- 1.30   0.275% *  0.1226% (0.20   0.02   0.54) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.40 +/- 0.69   0.012% *  0.3260% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.35 +/- 0.41   0.027% *  0.1085% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.61, residual support = 36.8:
          HN    LEU  104 - QG2   ILE  103   2.34 +/- 0.39  99.995% * 99.9409% (0.90   6.61  36.79) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.24 +/- 0.41   0.005% *  0.0591% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 6.71, residual support = 138.1:
      O   HN    ILE  103 - HB    ILE  103   2.10 +/- 0.06  99.998% * 99.8308% (1.00  10.0   6.71 138.11) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  15.95 +/- 1.68   0.001% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  15.39 +/- 0.61   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  19.94 +/- 1.52   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.1:
      O T HA    ILE  103 - HG12  ILE  103   2.20 +/- 0.18  99.786% * 97.9216% (0.20  10.0 10.00   5.98 138.11) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.24 +/- 0.20   0.199% *  0.3001% (0.61   1.0  1.00   0.02  36.79) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  13.41 +/- 2.03   0.004% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  10.79 +/- 1.04   0.009% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  15.58 +/- 1.88   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  17.16 +/- 1.84   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  23.58 +/- 0.89   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.74 +/- 1.62   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.59 +/- 1.84   0.000% *  0.1761% (0.36   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 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.91, residual support = 138.1:
          HN    ILE  103 - HG12  ILE  103   3.23 +/- 0.28  99.969% * 99.5122% (0.80   6.91 138.11) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  14.94 +/- 1.35   0.013% *  0.2723% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  14.83 +/- 0.71   0.014% *  0.1514% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.23 +/- 1.48   0.004% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.1:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 99.2748% (0.58  10.0 10.00   4.31 138.11) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.50 +/- 0.75   0.009% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  15.15 +/- 0.97   0.000% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  10.94 +/- 0.86   0.002% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.66 +/- 1.13   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.92 +/- 1.79   0.000% *  0.0513% (0.30   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 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.481, support = 4.78, residual support = 138.1:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  87.633% * 32.5765% (0.39  10.0 10.00   4.63 138.11) =  77.727%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.02 +/- 0.20  12.250% * 66.7776% (0.80  10.0 10.00   5.31 138.11) =  22.273%  kept
          QD2   LEU   40 - HG12  ILE  103   6.69 +/- 0.46   0.105% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  12.95 +/- 0.77   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  11.96 +/- 2.43   0.006% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.29 +/- 1.33   0.003% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.80 +/- 1.49   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.99 +/- 1.13   0.000% *  0.0663% (0.79   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 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.99, residual support = 32.0:
          QD1   LEU   98 - HG12  ILE  103   1.88 +/- 0.16 100.000% * 99.7597% (0.72   5.99  31.98) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.96 +/- 0.95   0.000% *  0.2403% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.746, support = 4.06, residual support = 138.1:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  57.280% * 82.5087% (0.84  10.0   3.97 138.11) =  86.478%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.26 +/- 0.10  42.718% * 17.2996% (0.18  10.0   4.67 138.11) =  13.522%  kept
          QG2   ILE  119 - HG13  ILE  103  14.40 +/- 1.18   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.69 +/- 0.61   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  18.00 +/- 0.93   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 2.52, residual support = 32.0:
          QD1   LEU   98 - HG13  ILE  103   2.61 +/- 0.50  99.996% * 99.4304% (0.90   2.52  31.98) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  15.52 +/- 0.83   0.004% *  0.5696% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.55, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.10 +/- 1.38  53.949% * 17.5479% (0.45   0.02   0.02) =  47.037%  kept
          HE21  GLN   30 - QD1   ILE  103  13.36 +/- 1.28  17.496% * 30.1124% (0.77   0.02   0.02) =  26.177%  kept
          QD    PHE   59 - QD1   ILE  103  12.63 +/- 1.13  26.349% * 17.5479% (0.45   0.02   0.02) =  22.973%  kept
          HH2   TRP   49 - QD1   ILE  103  19.40 +/- 1.37   2.206% * 34.7918% (0.89   0.02   0.02) =   3.813%  kept
    Distance limit 3.97 A violated in 20 structures by 5.93 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.528, support = 0.441, residual support = 0.542:
          HE3   TRP   87 - QD1   ILE  103   5.46 +/- 1.97  89.212% * 59.6975% (0.52   0.45   0.54) =  95.634%  kept
          HN    TRP   87 - QD1   ILE  103   8.70 +/- 1.52   7.696% * 30.7341% (0.67   0.18   0.54) =   4.247%  kept
          HD21  ASN   69 - QD1   ILE  103  14.26 +/- 1.34   0.943% *  3.1984% (0.63   0.02   0.02) =   0.054%
          HN    GLN   17 - QD1   ILE  103  16.63 +/- 1.07   0.402% *  4.0389% (0.80   0.02   0.02) =   0.029%
          HN    ALA   91 - QD1   ILE  103  12.60 +/- 1.52   1.243% *  1.0366% (0.21   0.02   0.02) =   0.023%
          HN    ALA   61 - QD1   ILE  103  15.61 +/- 1.06   0.504% *  1.2946% (0.26   0.02   0.02) =   0.012%
    Distance limit 3.63 A violated in 11 structures by 1.83 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.64, residual support = 138.1:
          HN    ILE  103 - QD1   ILE  103   2.94 +/- 0.61  99.832% * 99.4024% (0.92   5.64 138.11) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  11.71 +/- 1.46   0.087% *  0.3336% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  12.08 +/- 0.99   0.067% *  0.1855% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.55 +/- 1.29   0.014% *  0.0785% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.1:
      O   HA    ILE  103 - HG13  ILE  103   2.96 +/- 0.36  98.605% * 99.0827% (0.73  10.0   5.40 138.11) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.21 +/- 0.42   1.264% *  0.0379% (0.28   1.0   0.02  36.79) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.28 +/- 0.77   0.076% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  13.09 +/- 1.99   0.029% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  14.89 +/- 1.85   0.010% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  16.43 +/- 1.96   0.005% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  14.41 +/- 0.57   0.008% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.58 +/- 0.97   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.41 +/- 0.91   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.08 +/- 1.13   0.000% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.69 +/- 1.54   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  32.58 +/- 1.65   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 6.2, residual support = 138.1:
          HN    ILE  103 - HG13  ILE  103   4.15 +/- 0.11  99.803% * 99.4567% (1.00   6.20 138.11) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  13.91 +/- 1.34   0.085% *  0.3033% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  13.42 +/- 0.59   0.095% *  0.1687% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  17.99 +/- 1.52   0.017% *  0.0714% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.28, residual support = 138.1:
          HN    ILE  103 - QG2   ILE  103   3.51 +/- 0.11  99.842% * 99.2296% (0.69   6.28 138.11) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.30 +/- 0.36   0.092% *  0.4440% (0.97   0.02   0.02) =   0.000%
          HN    GLN   90 - QG2   ILE  103  12.60 +/- 1.40   0.065% *  0.2240% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  22.20 +/- 0.91   0.002% *  0.1024% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.02 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   4.38 +/- 0.13  99.960% * 98.7620% (0.38   4.77  22.41) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.32 +/- 0.74   0.008% *  1.0194% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.83 +/- 0.44   0.032% *  0.2186% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.34 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 4.67, residual support = 18.0:
        T HB2   PHE   97 - HB2   LEU  104   3.49 +/- 0.62  92.855% * 96.1014% (0.82 10.00   4.68  18.01) =  99.854%  kept
          QE    LYS+ 106 - HB2   LEU  104   6.94 +/- 1.29   3.503% *  3.7057% (0.78  1.00   0.81   0.02) =   0.145%
          QE    LYS+  99 - HB2   LEU  104   6.56 +/- 0.83   3.617% *  0.0253% (0.22  1.00   0.02  17.00) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  15.59 +/- 1.17   0.018% *  0.0738% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  18.40 +/- 0.83   0.006% *  0.0938% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.3, residual support = 38.1:
          HN    ASP- 105 - HB2   LEU  104   2.44 +/- 0.26  99.999% * 99.8742% (0.82   6.30  38.06) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  18.38 +/- 1.84   0.001% *  0.1258% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 216.5:
      O   HN    LEU  104 - HB2   LEU  104   2.64 +/- 0.25  99.994% * 99.7579% (0.36  10.0   7.39 216.51) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.61 +/- 0.54   0.006% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.89, residual support = 216.5:
      O   HN    LEU  104 - HB3   LEU  104   3.73 +/- 0.12  99.977% * 99.9343% (0.71  10.0   6.89 216.51) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  15.12 +/- 0.59   0.023% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 7.46, residual support = 216.5:
          HN    LEU  104 - HG    LEU  104   3.22 +/- 0.39  99.981% * 99.8241% (0.92   7.46 216.51) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.97 +/- 0.90   0.019% *  0.1759% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 17.0:
          HN    LYS+  99 - HG    LEU  104   3.50 +/- 0.54  97.639% * 96.3289% (0.98   1.50  17.00) =  99.967%  kept
          HE1   HIS  122 - HG    LEU  104  10.69 +/- 3.79   2.348% *  1.3074% (1.00   0.02   0.02) =   0.033%
          HN    GLN   30 - HG    LEU  104  18.23 +/- 1.12   0.006% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.58 +/- 1.58   0.006% *  0.4918% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.54 +/- 1.22   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.392, support = 6.84, residual support = 213.1:
          HN    LEU  104 - QD1   LEU  104   3.75 +/- 0.58  91.370% * 77.6420% (0.40   6.89 216.51) =  98.023%  kept
          HN    PHE   72 - QD1   LEU   73   6.55 +/- 0.72   6.604% * 21.6277% (0.18   4.30  43.99) =   1.973%  kept
          HN    PHE   72 - QD1   LEU   63   8.74 +/- 1.02   1.338% *  0.1007% (0.18   0.02  15.69) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.17 +/- 0.74   0.165% *  0.5467% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.56 +/- 0.84   0.448% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  13.19 +/- 1.03   0.076% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 2.96, residual support = 17.0:
        T HB2   LYS+  99 - QD1   LEU  104   2.03 +/- 0.34  99.555% * 97.1108% (0.40 10.00   2.96  17.00) = 100.000%  kept
        T HB    VAL   43 - QD1   LEU  104  10.86 +/- 0.59   0.007% *  1.2428% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   73   6.17 +/- 1.06   0.351% *  0.0229% (0.09  1.00   0.02   1.30) =   0.000%
          HB    VAL   43 - QD1   LEU   63   7.57 +/- 0.90   0.060% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.66 +/- 1.17   0.007% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  15.98 +/- 1.47   0.001% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  13.67 +/- 1.20   0.003% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  11.43 +/- 1.11   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  11.58 +/- 1.46   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  11.86 +/- 1.00   0.003% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  14.82 +/- 1.08   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  20.50 +/- 1.05   0.000% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 17.0:
          HB2   LYS+  99 - QD2   LEU  104   2.68 +/- 0.32  95.917% * 87.1245% (0.90  1.00   2.00  17.00) =  99.993%  kept
        T HB    VAL   43 - QG2   VAL   18   8.76 +/- 0.64   0.110% *  1.4406% (0.15 10.00   0.02   0.02) =   0.002%
        T HB    VAL   43 - QD2   LEU  104  11.70 +/- 1.22   0.016% *  9.3754% (0.97 10.00   0.02   0.02) =   0.002%
          HB3   GLN   17 - QG2   VAL   18   5.31 +/- 0.77   3.297% *  0.0372% (0.04  1.00   0.02  50.05) =   0.001%
        T HB    VAL   43 - QG1   VAL   41   7.69 +/- 0.33   0.219% *  0.5036% (0.05 10.00   0.02   2.00) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   7.10 +/- 0.68   0.391% *  0.0468% (0.05  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  14.33 +/- 0.78   0.005% *  0.1378% (0.14  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.60 +/- 0.96   0.004% *  0.1339% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  10.56 +/- 1.41   0.037% *  0.0130% (0.01  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  21.04 +/- 1.08   0.000% *  0.8968% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  17.25 +/- 1.48   0.002% *  0.2422% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  16.99 +/- 0.60   0.002% *  0.0482% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.36, residual support = 42.3:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.853% * 98.4679% (0.72  10.0 10.00   3.36  42.34) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.34 +/- 0.43   0.140% *  0.1263% (0.93   1.0  1.00   0.02  21.49) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   9.00 +/- 0.27   0.006% *  0.0885% (0.65   1.0  1.00   0.02   2.48) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.85 +/- 1.16   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.10 +/- 1.31   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  14.51 +/- 2.58   0.001% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  19.17 +/- 1.71   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.41 +/- 1.01   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.96 +/- 0.94   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.21 +/- 1.01   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  19.85 +/- 1.32   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.63 +/- 1.44   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  17.91 +/- 1.24   0.000% *  0.0287% (0.21   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 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.61, residual support = 4.62:
        T QG2   THR  118 - HB2   ASP- 105   4.40 +/- 1.42 100.000% *100.0000% (0.54 10.00   1.61   4.62) = 100.000%  kept
    Distance limit 3.26 A violated in 8 structures by 1.21 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.61, residual support = 4.62:
        T QG2   THR  118 - HB3   ASP- 105   4.35 +/- 1.69 100.000% *100.0000% (0.57 10.00   1.61   4.62) = 100.000%  kept
    Distance limit 3.47 A violated in 5 structures by 0.99 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.877, support = 4.2, residual support = 43.6:
          HB2   PHE   97 - HB2   ASP- 105   4.40 +/- 0.69  58.238% * 53.9110% (0.89   4.38  56.87) =  62.479%  kept
          QE    LYS+ 106 - HB2   ASP- 105   5.20 +/- 1.64  41.352% * 45.5949% (0.85   3.91  21.49) =  37.520%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.50 +/- 1.00   0.339% *  0.0649% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.45 +/- 0.89   0.066% *  0.1890% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  19.96 +/- 0.98   0.005% *  0.2402% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 3.65, residual support = 55.1:
        T HB2   PHE   97 - HB3   ASP- 105   3.18 +/- 0.84  89.552% * 67.7091% (0.87 10.00   3.64  56.87) =  94.931%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.72 +/- 1.45  10.089% * 32.0903% (0.41 10.00   3.81  21.49) =   5.069%  kept
          QE    LYS+  99 - HB3   ASP- 105   9.28 +/- 0.92   0.281% *  0.0567% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  11.19 +/- 1.00   0.052% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  13.13 +/- 1.14   0.020% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.91 +/- 1.40   0.004% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  19.00 +/- 1.10   0.002% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.19, residual support = 42.3:
      O T HA    ASP- 105 - HB3   ASP- 105   3.01 +/- 0.05  99.999% * 99.8608% (0.87  10.0 10.00   3.19  42.34) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.16 +/- 1.27   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  25.58 +/- 1.14   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  24.26 +/- 1.08   0.000% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.58, residual support = 42.3:
      O   HN    ASP- 105 - HB3   ASP- 105   2.71 +/- 0.24  99.998% * 99.9603% (0.95  10.0   4.58  42.34) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  17.68 +/- 1.36   0.002% *  0.0397% (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 3151 (8.99, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 3.83, residual support = 21.5:
          HN    LYS+ 106 - HB3   ASP- 105   3.75 +/- 0.31  99.655% * 99.5416% (0.18   3.83  21.49) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105  10.20 +/- 0.93   0.345% *  0.4584% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.29, residual support = 56.9:
          QD    PHE   97 - HB2   ASP- 105   3.93 +/- 0.86  99.918% * 99.2870% (0.87   3.29  56.87) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  14.71 +/- 1.54   0.079% *  0.5674% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  24.54 +/- 1.19   0.003% *  0.1456% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.72, residual support = 42.3:
      O   HN    ASP- 105 - HB2   ASP- 105   3.68 +/- 0.18  99.990% * 99.9603% (0.89  10.0   4.72  42.34) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  17.69 +/- 1.53   0.010% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.83, residual support = 21.5:
          HN    LYS+ 106 - HB2   ASP- 105   2.85 +/- 0.38  99.966% * 99.5426% (0.17   3.83  21.49) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.64 +/- 0.89   0.034% *  0.4574% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   3.53 +/- 1.07  99.733% * 99.9124% (0.87 10.00   0.99   1.97) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  14.29 +/- 0.95   0.267% *  0.0876% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.33 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.38, residual support = 8.68:
          QD    PHE   97 - HA    LYS+ 106   3.99 +/- 1.35  99.346% * 99.5071% (0.45   3.38   8.68) =  99.997%  kept
          HZ3   TRP   87 - HA    LYS+ 106  11.54 +/- 1.24   0.654% *  0.4929% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 5 structures by 0.64 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.49, residual support = 8.68:
          HN    PHE   97 - HA    LYS+ 106   3.77 +/- 0.88  98.136% * 98.9594% (0.90   2.49   8.68) =  99.986%  kept
          HN    LEU  115 - HA    LYS+ 106   9.34 +/- 0.64   1.657% *  0.7943% (0.90   0.02   0.02) =   0.014%
          HN    ASP- 113 - HA    LYS+ 106  12.71 +/- 0.67   0.207% *  0.2463% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 136.2:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.88 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 136.21) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 26.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.08 100.000% * 99.8992% (0.99  10.0   4.58  26.85) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.32 +/- 1.05   0.000% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3160 (8.99, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 5.4, residual support = 136.2:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.14 +/- 0.28  99.926% * 99.9120% (0.18  10.0   5.40 136.21) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.86 +/- 0.72   0.074% *  0.0880% (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 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.15, residual support = 26.8:
          HN    VAL  107 - QB    LYS+ 106   3.17 +/- 0.22  99.996% * 99.6094% (0.99   5.15  26.85) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.47 +/- 1.07   0.004% *  0.3906% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.95, residual support = 136.2:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.42 +/- 0.07  99.726% * 94.0497% (0.61  10.0 10.00   5.95 136.21) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.76 +/- 0.48   0.102% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.38 +/- 1.03   0.012% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.47 +/- 1.23   0.050% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.25 +/- 1.33   0.067% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  16.95 +/- 1.08   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.61 +/- 1.16   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.52 +/- 0.76   0.032% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.81 +/- 0.49   0.003% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  15.20 +/- 1.46   0.002% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.57 +/- 1.18   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.96 +/- 0.78   0.001% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.68 +/- 1.77   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.73, residual support = 6.05:
          QG2   VAL  108 - QB    LYS+ 106   3.05 +/- 0.19  99.086% * 98.4936% (1.00   2.73   6.05) =  99.994%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.14 +/- 0.46   0.795% *  0.7080% (0.98   0.02   0.02) =   0.006%
          QD1   ILE  119 - QB    LYS+ 106  10.16 +/- 0.95   0.108% *  0.5520% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.97 +/- 0.70   0.012% *  0.2464% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.56, residual support = 26.3:
          QG2   VAL  107 - QB    LYS+ 106   5.35 +/- 0.20  14.429% * 98.7170% (0.76   4.65  26.85) =  98.068%  kept
          HG13  ILE  103 - QB    LYS+ 106   4.67 +/- 0.56  36.947% *  0.5546% (1.00   0.02   0.02) =   1.411%  kept
          QG2   THR   94 - QB    LYS+ 106   4.45 +/- 0.80  48.130% *  0.1545% (0.28   0.02   0.02) =   0.512%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.55 +/- 0.98   0.428% *  0.2924% (0.53   0.02   0.02) =   0.009%
          HB3   LYS+ 112 - QB    LYS+ 106  13.90 +/- 0.57   0.049% *  0.1715% (0.31   0.02   0.02) =   0.001%
          QB    ALA   20 - QB    LYS+ 106  16.67 +/- 0.69   0.018% *  0.1100% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.85, residual support = 101.3:
          HN    LYS+  81 - QG    LYS+  81   2.06 +/- 0.19  99.870% * 81.8676% (0.13   4.85 101.34) =  99.998%  kept
          HE3   TRP   27 - HG2   LYS+  33   8.24 +/- 0.69   0.035% *  2.4845% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HG2   LYS+ 106   9.18 +/- 1.87   0.073% *  0.8703% (0.34   0.02   0.10) =   0.001%
          HN    THR   23 - QG    LYS+  81   9.89 +/- 0.80   0.010% *  0.6385% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.42 +/- 0.74   0.002% *  1.1896% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  12.84 +/- 0.82   0.002% *  1.3336% (0.53   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  13.22 +/- 1.53   0.002% *  0.6871% (0.27   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.76 +/- 1.68   0.001% *  1.5068% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  15.77 +/- 1.42   0.001% *  1.4542% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.15 +/- 2.34   0.001% *  1.4351% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  16.68 +/- 2.31   0.002% *  0.3042% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  16.97 +/- 1.64   0.000% *  1.1480% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  15.91 +/- 1.66   0.001% *  0.5016% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.07 +/- 0.90   0.000% *  0.7048% (0.28   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  21.45 +/- 1.45   0.000% *  0.8088% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  19.47 +/- 1.64   0.000% *  0.4274% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.07 +/- 1.32   0.000% *  2.3978% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  19.99 +/- 0.68   0.000% *  0.2402% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.768, residual support = 1.54:
          HN    GLU-  79 - QG    LYS+  81   4.00 +/- 0.06  99.102% * 81.6685% (0.27   0.77   1.54) =  99.984%  kept
          HN    VAL   70 - HG2   LYS+  33  12.54 +/- 1.53   0.137% *  3.8178% (0.49   0.02   0.02) =   0.006%
          HN    THR   94 - HG2   LYS+ 106  10.20 +/- 1.13   0.503% *  0.9414% (0.12   0.02   0.02) =   0.006%
          HN    THR   94 - QG    LYS+  81  11.48 +/- 0.83   0.200% *  0.7432% (0.09   0.02   0.02) =   0.002%
          HN    VAL   70 - HG2   LYS+ 106  16.40 +/- 1.57   0.032% *  2.3154% (0.30   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+  33  19.38 +/- 1.08   0.008% *  4.4406% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.19 +/- 1.66   0.010% *  2.6931% (0.34   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  21.50 +/- 0.34   0.004% *  1.8279% (0.23   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  21.25 +/- 0.99   0.005% *  1.5522% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 136.2:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.08 +/- 0.46  99.972% * 99.8764% (0.18  10.0   5.66 136.21) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.34 +/- 1.10   0.021% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.11 +/- 0.88   0.004% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.22 +/- 1.07   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.3, residual support = 46.2:
        T HB2   PHE   95 - HB    VAL  107   2.86 +/- 1.11 100.000% *100.0000% (0.69 10.00   4.30  46.21) = 100.000%  kept
    Distance limit 3.18 A violated in 3 structures by 0.33 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.2, residual support = 60.3:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.930% * 99.7352% (0.72  10.0 10.00   3.20  60.28) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.89 +/- 0.86   0.050% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.25 +/- 1.03   0.010% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.06 +/- 0.82   0.010% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  17.70 +/- 0.95   0.000% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.14 +/- 1.23   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.91, residual support = 60.3:
      O T QG1   VAL  107 - HB    VAL  107   2.11 +/- 0.02  99.947% * 99.5954% (0.71  10.0 10.00   3.91  60.28) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.89 +/- 0.86   0.047% *  0.0226% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.86 +/- 1.33   0.004% *  0.0849% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  17.26 +/- 1.20   0.000% *  0.1779% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.71 +/- 1.53   0.000% *  0.0938% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  19.14 +/- 1.23   0.000% *  0.0253% (0.18   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 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 0.6, residual support = 3.87:
          QD2   LEU  115 - HB    VAL  107   6.51 +/- 0.99  18.731% * 64.0402% (0.67   0.66   5.97) =  64.640%  kept
          QD2   LEU   63 - HB    VAL  107   6.40 +/- 1.61  18.872% * 28.0241% (0.33   0.60   0.02) =  28.499%  kept
          QD1   LEU   63 - HB    VAL  107   5.26 +/- 1.47  61.395% *  2.0505% (0.71   0.02   0.02) =   6.784%  kept
          QD1   LEU  104 - HB    VAL  107  10.43 +/- 0.54   0.692% *  1.4370% (0.50   0.02   0.02) =   0.054%
          QD1   LEU   73 - HB    VAL  107  14.45 +/- 0.98   0.105% *  2.0505% (0.71   0.02   0.02) =   0.012%
          QD2   LEU   80 - HB    VAL  107  15.62 +/- 1.51   0.073% *  1.8761% (0.65   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB    VAL  107  14.53 +/- 1.82   0.131% *  0.5216% (0.18   0.02   0.02) =   0.004%
    Distance limit 3.92 A violated in 1 structures by 0.55 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.95, residual support = 46.2:
          QD    PHE   95 - HB    VAL  107   2.88 +/- 1.03  99.960% * 99.8381% (0.63   3.95  46.21) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.67 +/- 1.28   0.040% *  0.1619% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 2 structures by 0.18 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.43:
          QD    PHE   97 - HB    VAL  107   6.06 +/- 1.30  99.146% * 54.4328% (0.33   0.02   2.45) =  99.284%  kept
          HZ3   TRP   87 - HB    VAL  107  14.49 +/- 1.32   0.854% * 45.5672% (0.27   0.02   0.02) =   0.716%  kept
    Distance limit 3.75 A violated in 18 structures by 2.30 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 60.3:
      O   HN    VAL  107 - HB    VAL  107   2.39 +/- 0.29  99.999% * 99.8992% (0.72  10.0   3.33  60.28) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.49 +/- 1.34   0.001% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 46.2:
          HN    PHE   95 - HB    VAL  107   4.05 +/- 1.33 100.000% *100.0000% (0.47   3.24  46.21) = 100.000%  kept
    Distance limit 4.12 A violated in 3 structures by 0.44 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 60.3:
      O   QG2   VAL  107 - QG1   VAL  107   2.06 +/- 0.04  99.700% * 99.3136% (0.99  10.0  1.00   4.36  60.28) = 100.000%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.98 +/- 0.64   0.213% *  0.1983% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG1   VAL  107   7.83 +/- 0.71   0.039% *  0.0967% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.22 +/- 0.83   0.016% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.12 +/- 0.34   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   8.55 +/- 0.51   0.021% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  17.23 +/- 1.03   0.000% *  0.1755% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  15.73 +/- 0.58   0.001% *  0.0648% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.58 +/- 1.38   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  14.91 +/- 1.04   0.001% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  22.36 +/- 1.44   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  20.88 +/- 1.42   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.91, residual support = 60.3:
      O T HB    VAL  107 - QG1   VAL  107   2.11 +/- 0.02  99.633% * 99.1597% (0.65  10.0 10.00   3.91  60.28) = 100.000%  kept
          QG    GLU-  79 - QG2   VAL   24   7.21 +/- 1.20   0.164% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   6.51 +/- 0.42   0.128% *  0.0268% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   8.00 +/- 0.94   0.045% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107   9.48 +/- 0.73   0.014% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24  10.27 +/- 0.70   0.009% *  0.0363% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  17.26 +/- 1.20   0.000% *  0.2357% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.07 +/- 0.84   0.001% *  0.1280% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  11.03 +/- 0.85   0.006% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.93 +/- 0.92   0.000% *  0.1529% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.50 +/- 0.59   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  22.45 +/- 1.52   0.000% *  0.0908% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  17.94 +/- 1.17   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  24.48 +/- 1.11   0.000% *  0.0064% (0.04   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 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.2, residual support = 60.3:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.776% * 99.2330% (0.65  10.0 10.00   3.20  60.28) = 100.000%  kept
        T QE    LYS+ 112 - QG2   VAL  107   7.76 +/- 1.19   0.071% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   7.97 +/- 1.39   0.070% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   7.19 +/- 0.72   0.081% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  14.94 +/- 1.24   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  20.11 +/- 0.97   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.79 +/- 0.77   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 0.987, residual support = 5.54:
        T QB    GLU- 114 - QG2   VAL  107   2.93 +/- 0.56  93.958% * 97.4509% (0.65 10.00   0.99   5.54) =  99.979%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.39 +/- 1.46   5.544% *  0.3025% (0.99  1.00   0.02   0.02) =   0.018%
        T HB    ILE  119 - QG2   VAL  107   7.65 +/- 0.70   0.463% *  0.5346% (0.18 10.00   0.02   0.02) =   0.003%
          HG2   PRO   68 - QG2   VAL  107  14.45 +/- 1.53   0.010% *  0.1486% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  15.68 +/- 1.18   0.006% *  0.2444% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   VAL  107  17.58 +/- 0.90   0.003% *  0.3053% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  16.73 +/- 0.79   0.004% *  0.1728% (0.57  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  18.68 +/- 0.76   0.002% *  0.3053% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  17.99 +/- 1.34   0.003% *  0.1255% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.89 +/- 1.09   0.001% *  0.2888% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  17.25 +/- 1.15   0.004% *  0.0535% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.45 +/- 0.67   0.002% *  0.0680% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.24 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.578, support = 1.2, residual support = 3.51:
        T QD1   LEU   63 - QG1   VAL  107   4.88 +/- 0.78   2.489% * 58.9112% (0.98 10.00   0.75   0.02) =  34.853%  kept
        T QG1   VAL   83 - QG2   VAL   24   2.66 +/- 0.97  67.211% *  1.4597% (0.06 10.00   0.31   0.65) =  23.315%  kept
          QD2   LEU   80 - QG2   VAL   24   3.35 +/- 0.73  24.418% *  3.5742% (0.21  1.00   2.09  11.06) =  20.741%  kept
          QD2   LEU  115 - QG1   VAL  107   4.61 +/- 0.78   4.240% * 17.6359% (0.92  1.00   2.38   5.97) =  17.771%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.68 +/- 0.93   0.978% * 13.9895% (0.45 10.00   0.39   0.02) =   3.253%  kept
        T QD1   LEU   73 - QG2   VAL   24   5.83 +/- 0.61   0.596% *  0.3733% (0.23 10.00   0.02   0.02) =   0.053%
        T QD1   LEU  104 - QG1   VAL  107   8.92 +/- 0.55   0.044% *  1.1009% (0.69 10.00   0.02   0.02) =   0.011%
        T QD1   LEU   73 - QG1   VAL  107  13.21 +/- 1.01   0.004% *  1.5710% (0.98 10.00   0.02   0.02) =   0.002%
        T QG1   VAL   83 - QG1   VAL  107  13.32 +/- 1.20   0.006% *  0.3996% (0.25 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - QG2   VAL   24  13.64 +/- 0.87   0.003% *  0.3733% (0.23 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  15.24 +/- 1.15   0.002% *  0.2616% (0.16 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  14.22 +/- 0.96   0.003% *  0.1708% (0.11 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  14.25 +/- 1.10   0.003% *  0.1437% (0.90  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.32 +/- 1.23   0.001% *  0.0352% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 5.96:
          QD1   LEU  115 - QG2   VAL  107   4.33 +/- 0.86  95.133% * 97.2941% (0.38   1.08   5.97) =  99.858%  kept
          QG1   VAL   75 - QG2   VAL  107   8.14 +/- 0.94   4.867% *  2.7059% (0.57   0.02   0.02) =   0.142%
    Distance limit 3.59 A violated in 7 structures by 0.83 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.888, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.06 +/- 0.84  95.198% * 58.0948% (0.90   0.02   0.02) =  96.489%  kept
          QG2   ILE   19 - QG2   VAL  107  15.21 +/- 0.71   4.802% * 41.9052% (0.65   0.02   0.02) =   3.511%  kept
    Distance limit 3.27 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 60.3:
      O T HA    VAL  107 - QG2   VAL  107   2.69 +/- 0.24  98.472% * 99.4123% (0.45  10.0 10.00   3.63  60.28) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.80 +/- 0.85   1.359% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107   9.50 +/- 1.43   0.098% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL  107   9.97 +/- 1.57   0.068% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.73 +/- 0.96   0.002% *  0.1852% (0.84   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 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.375, support = 2.82, residual support = 11.8:
          HB    VAL  108 - QG1   VAL  107   5.84 +/- 0.30  20.470% * 49.9883% (0.45  1.00   4.31  19.82) =  59.291%  kept
        T HB    ILE  119 - QG1   VAL  107   6.62 +/- 0.72  15.430% * 43.4912% (0.25 10.00   0.67   0.02) =  38.884%  kept
          HB2   PRO   93 - QG1   VAL  107   5.11 +/- 1.29  57.989% *  0.4317% (0.84  1.00   0.02   0.02) =   1.450%  kept
          HG2   PRO   58 - QG1   VAL  107   9.73 +/- 1.22   1.616% *  3.8314% (0.65  1.00   0.23   0.02) =   0.359%
          HB2   GLN   30 - QG2   VAL   24   8.09 +/- 0.80   3.791% *  0.0306% (0.06  1.00   0.02   0.02) =   0.007%
          HG3   PRO   52 - QG1   VAL  107  12.05 +/- 1.01   0.288% *  0.3343% (0.65  1.00   0.02   0.02) =   0.006%
          HB2   ARG+  54 - QG1   VAL  107  13.27 +/- 0.93   0.156% *  0.2719% (0.53  1.00   0.02   0.02) =   0.002%
          HB2   PRO   93 - QG2   VAL   24  16.81 +/- 0.97   0.041% *  0.1026% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  107  17.41 +/- 1.11   0.030% *  0.1289% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  107  17.23 +/- 0.63   0.035% *  0.1023% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL  107  22.48 +/- 1.32   0.007% *  0.3753% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   VAL   24  16.47 +/- 1.34   0.044% *  0.0551% (0.11  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG2   VAL   24  18.13 +/- 1.39   0.024% *  0.0892% (0.17  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG2   VAL   24  18.73 +/- 1.88   0.024% *  0.0795% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG2   VAL   24  21.45 +/- 0.70   0.009% *  0.0795% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL   24  17.71 +/- 1.07   0.027% *  0.0243% (0.05  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  107  29.63 +/- 2.48   0.001% *  0.3950% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL   24  24.81 +/- 2.61   0.005% *  0.0939% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL   24  22.32 +/- 1.24   0.007% *  0.0646% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG2   VAL   24  22.44 +/- 1.11   0.007% *  0.0306% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 13 structures by 1.16 A, kept.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.898, support = 1.31, residual support = 5.92:
          HA    LEU  115 - QG1   VAL  107   2.38 +/- 0.56  83.740% * 31.7649% (0.90   1.15   5.97) =  77.833%  kept
          HA    GLU- 114 - QG1   VAL  107   3.64 +/- 0.61  13.960% * 52.5335% (0.92   1.85   5.54) =  21.459%  kept
          HA    ASN   28 - QG2   VAL   24   4.99 +/- 0.40   1.934% * 12.4956% (0.21   1.97  11.28) =   0.707%  kept
          HA    THR   26 - QG2   VAL   24   6.48 +/- 0.19   0.340% *  0.0885% (0.14   0.02   2.81) =   0.001%
          HA    ARG+  54 - QG1   VAL  107  12.29 +/- 0.91   0.009% *  0.2094% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.52 +/- 0.87   0.002% *  0.6086% (0.99   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  13.24 +/- 0.50   0.005% *  0.1430% (0.23   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.70 +/- 2.23   0.004% *  0.1446% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.98 +/- 0.48   0.003% *  0.1531% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.72 +/- 0.86   0.001% *  0.6019% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  18.12 +/- 1.06   0.001% *  0.5326% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  21.15 +/- 0.74   0.000% *  0.3724% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  19.97 +/- 0.99   0.000% *  0.1309% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.25 +/- 1.14   0.000% *  0.1347% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  21.02 +/- 1.36   0.000% *  0.0498% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  26.30 +/- 1.35   0.000% *  0.0364% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.61, residual support = 60.3:
      O T HA    VAL  107 - QG1   VAL  107   2.20 +/- 0.36  99.219% * 99.0400% (0.45  10.0 10.00   4.61  60.28) = 100.000%  kept
          HA    TRP   27 - QG2   VAL   24   5.67 +/- 0.27   0.529% *  0.0439% (0.20   1.0  1.00   0.02  25.68) =   0.000%
          HA    LYS+ 111 - QG1   VAL  107   6.54 +/- 0.56   0.232% *  0.0754% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  11.23 +/- 1.20   0.010% *  0.1340% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.72 +/- 1.04   0.007% *  0.1916% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  17.19 +/- 0.75   0.001% *  0.1845% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  18.08 +/- 1.07   0.001% *  0.2354% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.69 +/- 1.10   0.001% *  0.0318% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  20.77 +/- 1.33   0.000% *  0.0455% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.78 +/- 1.09   0.000% *  0.0179% (0.08   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 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 24.4:
          HD1   TRP   27 - QG2   VAL   24   2.35 +/- 0.45  92.043% * 54.9832% (0.12   3.00  25.68) =  94.658%  kept
          QD    PHE   59 - QG1   VAL  107   4.42 +/- 0.85   7.924% * 36.0420% (0.49   0.47   1.11) =   5.342%  kept
          HE21  GLN   30 - QG2   VAL   24  10.02 +/- 1.53   0.026% *  0.6294% (0.20   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG1   VAL  107  13.97 +/- 1.24   0.003% *  3.0599% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  17.45 +/- 1.42   0.001% *  2.6483% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.74 +/- 1.16   0.001% *  1.5433% (0.49   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  16.91 +/- 0.96   0.001% *  0.3668% (0.12   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  19.37 +/- 1.66   0.000% *  0.7272% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 46.2:
          QD    PHE   95 - QG2   VAL  107   2.99 +/- 0.97  99.334% * 99.5022% (0.95   3.97  46.21) =  99.998%  kept
          HN    ALA   47 - QG2   VAL  107   9.70 +/- 1.28   0.296% *  0.4050% (0.76   0.02   0.02) =   0.001%
          QE    PHE   72 - QG2   VAL  107   9.46 +/- 0.82   0.370% *  0.0928% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 2 structures by 0.24 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 1.49, residual support = 5.95:
          HN    LEU  115 - QG2   VAL  107   3.65 +/- 0.77  94.542% * 81.4531% (0.90   1.50   5.97) =  99.415%  kept
          HN    PHE   97 - QG2   VAL  107   7.78 +/- 0.72   2.434% * 18.2101% (0.90   0.34   2.45) =   0.572%  kept
          HN    ASP- 113 - QG2   VAL  107   6.62 +/- 0.77   3.024% *  0.3368% (0.28   0.02   0.02) =   0.013%
    Distance limit 3.81 A violated in 2 structures by 0.22 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 19.8:
          HN    VAL  108 - QG2   VAL  107   3.39 +/- 0.17  99.700% * 99.3373% (0.57   3.64  19.82) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  107   9.28 +/- 0.70   0.300% *  0.6627% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.38 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.14, residual support = 60.3:
          HN    VAL  107 - QG1   VAL  107   3.17 +/- 0.50  99.972% * 99.2871% (0.99   4.14  60.28) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.27 +/- 0.89   0.017% *  0.4839% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  16.05 +/- 1.07   0.008% *  0.1140% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  18.68 +/- 0.88   0.003% *  0.1150% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.651, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   9.14 +/- 0.69  76.565% * 80.7980% (0.69   0.02   0.02) =  93.219%  kept
          HN    VAL   43 - QG2   VAL   24  11.32 +/- 0.84  23.435% * 19.2020% (0.16   0.02   0.02) =   6.781%  kept
    Distance limit 3.44 A violated in 20 structures by 5.28 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 = 6.44:
      O   HN    ALA  110 - HA2   GLY  109   2.66 +/- 0.43  99.975% * 99.9027% (0.99  10.0   2.20   6.44) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.44 +/- 1.21   0.025% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 9.34:
      O   HN    GLY  109 - HA2   GLY  109   2.51 +/- 0.26  99.926% * 99.5895% (0.53  10.0   2.20   9.34) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109   9.65 +/- 1.62   0.072% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.04 +/- 0.50   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  19.72 +/- 1.37   0.001% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.71, residual support = 65.2:
      O   HN    VAL  108 - HB    VAL  108   2.81 +/- 0.45  99.957% * 99.8788% (0.57  10.0   4.71  65.16) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.81 +/- 1.30   0.043% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.45:
          HN    GLY  109 - QG1   VAL  108   2.49 +/- 0.34  98.521% * 89.7984% (0.14   3.09   7.46) =  99.938%  kept
          HN    GLN   90 - QG1   VAL  108   6.74 +/- 1.89   1.467% *  3.7235% (0.87   0.02   0.02) =   0.062%
          HN    ILE  103 - QG1   VAL  108  12.91 +/- 0.49   0.007% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  14.77 +/- 1.10   0.004% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  22.15 +/- 1.63   0.001% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 65.2:
          HN    VAL  108 - QG1   VAL  108   3.62 +/- 0.07  99.786% * 99.4664% (0.57   4.52  65.16) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.27 +/- 1.12   0.214% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 65.2:
          HN    VAL  108 - QG2   VAL  108   2.80 +/- 0.59  99.767% * 99.4087% (0.57   4.08  65.16) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.25 +/- 0.99   0.233% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.789, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108  10.32 +/- 0.87  82.402% * 32.6470% (0.80   0.02   0.02) =  83.989%  kept
          HN    SER   82 - QG2   VAL  108  14.52 +/- 1.68  15.837% * 28.0060% (0.69   0.02   0.02) =  13.848%  kept
          HN    GLY   16 - QG2   VAL  108  20.12 +/- 1.54   1.761% * 39.3470% (0.97   0.02   0.02) =   2.163%  kept
    Distance limit 4.25 A violated in 20 structures by 5.71 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  17.31 +/- 1.81 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.82 A violated in 20 structures by 13.50 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 6.05:
          HA    LYS+ 106 - QG2   VAL  108   4.69 +/- 0.11 100.000% *100.0000% (0.28   1.42   6.05) = 100.000%  kept
    Distance limit 3.97 A violated in 1 structures by 0.73 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.56, residual support = 315.0:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.35 +/- 0.17  99.194% * 98.2964% (0.69  10.0  1.00   6.56 315.01) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 111   8.14 +/- 1.54   0.249% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.39 +/- 0.73   0.540% *  0.0251% (0.18   1.0  1.00   0.02  28.08) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.10 +/- 2.38   0.009% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.94 +/- 1.53   0.003% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.31 +/- 1.89   0.002% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  15.53 +/- 1.46   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  18.35 +/- 2.53   0.001% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.39 +/- 0.86   0.000% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.87 +/- 2.49   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  22.46 +/- 2.24   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.63 +/- 2.25   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.82 +/- 2.29   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.57 +/- 2.30   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.332, support = 3.23, residual support = 26.6:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.46 +/- 1.35  21.228% * 87.5029% (0.31  1.00   3.40  28.08) =  94.885%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.55 +/- 1.99  78.165% *  1.2736% (0.76  1.00   0.02   0.02) =   5.085%  kept
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.11 +/- 1.58   0.035% *  8.7677% (0.53 10.00   0.02   0.02) =   0.016%
          QG2   THR   94 - HB3   LYS+ 111   9.55 +/- 1.89   0.550% *  0.4633% (0.28  1.00   0.02   0.02) =   0.013%
          HG13  ILE  103 - HB3   LYS+ 111  15.91 +/- 2.54   0.019% *  1.6628% (1.00  1.00   0.02   0.02) =   0.002%
          QB    ALA   20 - HB3   LYS+ 111  22.49 +/- 1.41   0.002% *  0.3298% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 1 structures by 0.52 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.0:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.93 +/- 0.15  98.634% * 99.9336% (0.97  10.0   6.96 315.01) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.01 +/- 2.11   1.331% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.93 +/- 1.85   0.035% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 315.0:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.59 +/- 0.46  99.951% * 99.6823% (0.73  10.0   5.50 315.01) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.12 +/- 1.35   0.044% *  0.0468% (0.34   1.0   0.02   2.10) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.79 +/- 1.46   0.004% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  20.46 +/- 1.83   0.001% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  34.26 +/- 2.22   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.0:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.22 +/- 0.55  99.472% * 99.5678% (1.00  10.0   7.06 315.01) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.84 +/- 1.32   0.154% *  0.0834% (0.84   1.0   0.02   2.10) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.97 +/- 1.07   0.094% *  0.0146% (0.15   1.0   0.02   1.21) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  15.53 +/- 1.30   0.014% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   9.25 +/- 0.58   0.243% *  0.0031% (0.03   1.0   0.02   8.50) =   0.000%
          HN    ALA   84 - HG3   GLN   30  15.43 +/- 0.96   0.011% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.65 +/- 1.48   0.002% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  16.77 +/- 1.49   0.008% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  24.27 +/- 1.64   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.15 +/- 1.91   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  27.06 +/- 1.89   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  35.20 +/- 1.81   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 315.0:
          HN    LYS+ 111 - HG2   LYS+ 111   3.94 +/- 0.33  99.686% * 94.2690% (0.18   6.51 315.01) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.52 +/- 1.58   0.238% *  0.8051% (0.49   0.02   2.10) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  16.83 +/- 1.57   0.022% *  1.0032% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  16.06 +/- 2.19   0.036% *  0.5105% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  20.61 +/- 3.29   0.012% *  1.4833% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.89 +/- 2.54   0.001% *  1.6393% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.15 +/- 1.93   0.005% *  0.2897% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 315.0:
          HN    LYS+ 111 - HG3   LYS+ 111   3.54 +/- 0.32  98.941% * 98.0200% (0.65   6.54 315.01) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.56 +/- 1.63   0.215% *  0.4469% (0.97   0.02   2.10) =   0.001%
          HN    LEU   63 - HG2   LYS+  74   8.86 +/- 1.04   0.659% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.71 +/- 1.31   0.012% *  0.4620% (1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  13.40 +/- 1.15   0.046% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  20.96 +/- 3.25   0.007% *  0.1738% (0.38   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  14.81 +/- 1.27   0.023% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  13.67 +/- 1.93   0.052% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  14.03 +/- 0.76   0.033% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.15 +/- 1.45   0.003% *  0.2996% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  18.98 +/- 2.27   0.006% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  27.15 +/- 1.88   0.001% *  0.2622% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.26 +/- 1.18   0.003% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  35.96 +/- 1.69   0.000% *  0.1155% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.93, residual support = 32.6:
          HN    VAL   75 - HG2   LYS+  74   3.37 +/- 0.52  99.758% * 93.0406% (0.09   5.93  32.58) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.48 +/- 1.24   0.234% *  0.3884% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 111  20.29 +/- 2.05   0.005% *  3.6346% (0.99   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  20.19 +/- 1.40   0.003% *  2.9363% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.757, support = 0.839, residual support = 2.52:
        T HB2   LEU  115 - HA    LYS+ 112   2.93 +/- 0.65  89.618% * 69.0099% (0.76 10.00   0.75   2.23) =  97.603%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.23 +/- 0.58   5.359% * 14.4625% (0.73  1.00   1.65   0.96) =   1.223%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.27 +/- 0.34   4.765% * 15.6029% (0.18  1.00   7.40  28.08) =   1.173%  kept
          HG3   PRO   58 - HA    LYS+ 112   9.98 +/- 2.27   0.250% *  0.1928% (0.80  1.00   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    LYS+ 112  19.53 +/- 1.41   0.002% *  0.2089% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LYS+ 112  17.70 +/- 1.25   0.003% *  0.0904% (0.38  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  24.89 +/- 1.15   0.000% *  0.1928% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  20.32 +/- 1.52   0.001% *  0.0422% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  24.25 +/- 1.78   0.000% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  25.93 +/- 1.05   0.000% *  0.0536% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  31.94 +/- 1.06   0.000% *  0.0904% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.82, residual support = 6.71:
        T QD1   ILE   56 - HA    LYS+ 112   4.07 +/- 1.35  99.104% * 99.7142% (0.84 10.00   1.82   6.71) =  99.999%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.67 +/- 0.67   0.284% *  0.1211% (0.92  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  12.41 +/- 0.84   0.562% *  0.0365% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  18.84 +/- 1.38   0.044% *  0.0743% (0.57  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  25.91 +/- 1.58   0.006% *  0.0539% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 6 structures by 0.94 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 1.7, residual support = 3.43:
          QD    PHE   55 - HA    LYS+ 112   4.45 +/- 0.99  91.970% * 96.9357% (0.95   1.70   3.43) =  99.939%  kept
          QE    PHE   95 - HA    LYS+ 112   8.71 +/- 2.23   7.960% *  0.6808% (0.57   0.02   0.02) =   0.061%
          HN    LEU   67 - HA    LYS+ 112  16.85 +/- 0.93   0.053% *  0.2380% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    LYS+ 112  23.92 +/- 1.00   0.007% *  1.1786% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  26.98 +/- 1.21   0.003% *  0.6326% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  24.11 +/- 1.31   0.006% *  0.3343% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 8 structures by 0.89 A, kept.
 
    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  99.979% * 99.7200% (0.92  10.0   5.74 231.85) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  12.85 +/- 1.69   0.017% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.41 +/- 0.91   0.004% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  22.02 +/- 1.01   0.000% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  40.04 +/- 3.50   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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   3.86 +/- 0.34  99.989% * 98.9770% (0.41   6.22 231.85) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  21.14 +/- 2.19   0.005% *  0.5913% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  20.04 +/- 1.81   0.006% *  0.2388% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  41.40 +/- 4.37   0.000% *  0.1929% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.782, support = 0.02, residual support = 0.02:
          QE    PHE   59 - HG2   LYS+ 112   8.64 +/- 2.02  56.081% * 30.2011% (0.90   0.02   0.02) =  68.619%  kept
          HN    PHE   59 - HG2   LYS+ 112   9.44 +/- 2.17  37.020% * 17.7173% (0.53   0.02   0.02) =  26.573%  kept
          QD    PHE   60 - HG2   LYS+ 112  12.76 +/- 2.16   5.847% * 15.0977% (0.45   0.02   0.02) =   3.576%  kept
          HN    LYS+  66 - HG2   LYS+ 112  17.18 +/- 2.06   0.961% * 31.0863% (0.92   0.02   0.02) =   1.210%  kept
          HN    LYS+  81 - HG2   LYS+ 112  25.94 +/- 1.82   0.092% *  5.8976% (0.18   0.02   0.02) =   0.022%
    Distance limit 4.03 A violated in 18 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.58, residual support = 231.9:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.43 +/- 0.35  99.989% * 93.9398% (0.20  10.0 10.00   4.58 231.85) = 100.000%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  12.55 +/- 2.06   0.010% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  19.65 +/- 1.45   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.82 +/- 1.96   0.001% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  26.39 +/- 1.69   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  34.95 +/- 2.06   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  35.39 +/- 2.09   0.000% *  0.2128% (0.45   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 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.8:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.94 +/- 0.44  99.972% * 93.9398% (0.20  10.0 10.00   4.65 231.85) =  99.999%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  12.79 +/- 1.40   0.022% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   LYS+ 112  19.40 +/- 1.14   0.002% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  16.49 +/- 1.41   0.004% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.01 +/- 1.28   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  34.81 +/- 1.45   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  35.41 +/- 2.01   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.475, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112  10.73 +/- 2.27  86.058% *  6.9459% (0.28   0.02   0.02) =  66.809%  kept
          HD1   TRP   49 - HG3   LYS+ 112  17.58 +/- 1.94   8.179% * 24.1093% (0.97   0.02   0.02) =  22.041%  kept
          HN    LEU   67 - HG3   LYS+ 112  18.52 +/- 0.83   4.715% * 17.1603% (0.69   0.02   0.02) =   9.043%  kept
          HD2   HIS   22 - HG3   LYS+ 112  27.66 +/- 2.10   0.521% * 24.9820% (1.00   0.02   0.02) =   1.455%  kept
          HD21  ASN   35 - HG3   LYS+ 112  32.75 +/- 1.52   0.156% * 19.0919% (0.76   0.02   0.02) =   0.332%
          HN    THR   23 - HG3   LYS+ 112  28.66 +/- 1.44   0.371% *  7.7106% (0.31   0.02   0.02) =   0.320%
    Distance limit 4.17 A violated in 20 structures by 6.24 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   3.31 +/- 0.26  99.996% * 98.9290% (0.41   5.94 231.85) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.79 +/- 1.58   0.002% *  0.6190% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  19.92 +/- 1.08   0.002% *  0.2500% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  41.59 +/- 3.39   0.000% *  0.2020% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 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   2.36 +/- 0.12  99.993% * 95.1769% (0.20  10.0  1.00   3.76 231.85) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  12.70 +/- 1.68   0.006% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  20.61 +/- 1.43   0.000% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.46 +/- 1.35   0.001% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  27.26 +/- 1.44   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  35.60 +/- 1.61   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  36.06 +/- 2.29   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.72 +/- 0.22  99.984% * 99.7845% (0.85  10.0   5.53 231.85) = 100.000%  kept
          QB    ALA   47 - HD3   LYS+ 112  13.30 +/- 1.25   0.010% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD3   LYS+ 112  14.82 +/- 1.31   0.006% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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   2.40 +/- 0.14  99.991% * 98.0934% (0.19  10.0   2.96 231.85) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  12.52 +/- 1.89   0.008% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  20.46 +/- 1.22   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.69 +/- 1.47   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.40 +/- 1.43   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  35.58 +/- 1.67   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  35.81 +/- 2.46   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 231.9:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.43 +/- 0.35  99.857% * 99.5374% (0.75  10.0 10.00   4.58 231.85) = 100.000%  kept
          QG1   VAL   42 - HB3   ASP-  62   8.25 +/- 1.00   0.105% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62  12.55 +/- 2.06   0.010% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.63 +/- 1.41   0.012% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  13.06 +/- 1.39   0.006% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  12.12 +/- 0.83   0.011% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.34, residual support = 6.7:
          QD1   ILE   56 - QE    LYS+ 112   5.23 +/- 1.55  72.824% * 87.9077% (0.44   1.34   6.71) =  99.887%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.16 +/- 0.63  15.190% *  0.2691% (0.09   0.02   0.02) =   0.064%
          QG2   VAL   18 - HB3   ASP-  62   8.77 +/- 1.07   6.537% *  0.2103% (0.07   0.02   0.02) =   0.021%
          QG2   THR   46 - HB3   ASP-  62   9.72 +/- 0.87   3.323% *  0.1579% (0.05   0.02   0.02) =   0.008%
          QG2   THR   46 - QE    LYS+ 112  12.93 +/- 1.69   0.349% *  0.7717% (0.26   0.02   0.02) =   0.004%
          QG1   VAL   43 - HB3   ASP-  62  12.45 +/- 0.56   0.668% *  0.3309% (0.11   0.02   0.02) =   0.003%
          QD2   LEU   73 - HB3   ASP-  62  13.17 +/- 1.10   0.526% *  0.4096% (0.14   0.02   0.02) =   0.003%
          QG1   VAL   43 - QE    LYS+ 112  16.12 +/- 1.42   0.102% *  1.6174% (0.54   0.02   0.02) =   0.003%
          QG1   VAL   41 - HB3   ASP-  62  14.66 +/- 0.83   0.264% *  0.4273% (0.14   0.02   0.02) =   0.002%
          QG2   VAL   18 - QE    LYS+ 112  16.13 +/- 2.25   0.098% *  1.0278% (0.34   0.02   0.02) =   0.002%
          QD2   LEU   73 - QE    LYS+ 112  18.52 +/- 2.30   0.046% *  2.0020% (0.67   0.02   0.02) =   0.001%
          QG1   VAL   41 - QE    LYS+ 112  19.47 +/- 1.50   0.032% *  2.0883% (0.70   0.02   0.02) =   0.001%
          HG    LEU   31 - QE    LYS+ 112  25.63 +/- 1.99   0.007% *  2.3079% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  20.99 +/- 1.18   0.033% *  0.4722% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 12 structures by 1.64 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 231.8:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.94 +/- 0.44  91.280% * 98.8386% (0.81  10.0 10.00   4.65 231.85) =  99.998%  kept
          HG    LEU   63 - HB3   ASP-  62   4.98 +/- 0.92   8.584% *  0.0188% (0.15   1.0  1.00   0.02  42.39) =   0.002%
          HG    LEU   63 - QE    LYS+ 112  12.12 +/- 2.33   0.047% *  0.0918% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  12.79 +/- 1.40   0.019% *  0.2022% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  11.49 +/- 1.28   0.037% *  0.0255% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  22.45 +/- 1.52   0.001% *  0.7827% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.38 +/- 1.73   0.024% *  0.0052% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  18.15 +/- 1.41   0.002% *  0.0158% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  19.61 +/- 0.72   0.001% *  0.0160% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.25 +/- 1.24   0.004% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.469, support = 0.0198, residual support = 0.0198:
        T QG2   VAL  107 - QE    LYS+ 112   7.76 +/- 1.19  12.065% * 59.7816% (0.51 10.00   0.02   0.02) =  78.232%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.34 +/- 1.89  16.545% *  6.3761% (0.54  1.00   0.02   0.02) =  11.442%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.61 +/- 1.19  66.459% *  1.3045% (0.11  1.00   0.02   0.02) =   9.403%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.11 +/- 0.93   3.719% *  1.2231% (0.10  1.00   0.02   0.02) =   0.493%
          HG2   LYS+ 121 - QE    LYS+ 112  14.39 +/- 1.13   0.241% *  8.2327% (0.70  1.00   0.02   0.02) =   0.215%
          HG2   LYS+ 121 - HB3   ASP-  62  13.48 +/- 1.03   0.489% *  1.6844% (0.14  1.00   0.02   0.02) =   0.089%
          QB    ALA   20 - HB3   ASP-  62  13.85 +/- 1.15   0.320% *  2.0121% (0.17  1.00   0.02   0.02) =   0.070%
          QB    ALA   20 - QE    LYS+ 112  20.13 +/- 2.20   0.036% *  9.8344% (0.83  1.00   0.02   0.02) =   0.038%
          HG13  ILE  103 - QE    LYS+ 112  19.30 +/- 1.51   0.041% *  1.9506% (0.17  1.00   0.02   0.02) =   0.009%
          HB3   LEU   31 - QE    LYS+ 112  26.75 +/- 1.74   0.006% *  5.9782% (0.51  1.00   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   ASP-  62  17.90 +/- 1.19   0.062% *  0.3991% (0.03  1.00   0.02   0.02) =   0.003%
          HB3   LEU   31 - HB3   ASP-  62  22.33 +/- 0.85   0.016% *  1.2231% (0.10  1.00   0.02   0.02) =   0.002%
    Distance limit 3.10 A violated in 19 structures by 1.92 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.718, support = 0.903, residual support = 3.39:
          QD    PHE   55 - QE    LYS+ 112   4.70 +/- 1.26  73.575% * 84.2197% (0.72   0.91   3.43) =  98.891%  kept
          QE    PHE   95 - HB3   ASP-  62   7.58 +/- 1.69  10.599% *  5.8096% (0.17   0.27   0.02) =   0.983%  kept
          QE    PHE   95 - QE    LYS+ 112  10.14 +/- 2.26   1.827% *  2.0909% (0.82   0.02   0.02) =   0.061%
          HN    LEU   67 - HB3   ASP-  62   6.93 +/- 0.63  12.830% *  0.2823% (0.11   0.02   0.02) =   0.058%
          QD    PHE   55 - HB3   ASP-  62  10.79 +/- 0.92   0.889% *  0.3786% (0.15   0.02   0.02) =   0.005%
          HN    LEU   67 - QE    LYS+ 112  16.02 +/- 1.74   0.049% *  1.3799% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  16.47 +/- 1.71   0.056% *  0.6584% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   27 - HB3   ASP-  62  17.99 +/- 0.73   0.035% *  0.3495% (0.14   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  23.59 +/- 1.96   0.005% *  1.7081% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  20.45 +/- 1.01   0.018% *  0.4212% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  17.88 +/- 1.52   0.048% *  0.1347% (0.05   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  25.88 +/- 2.26   0.003% *  2.0586% (0.81   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  18.27 +/- 1.84   0.061% *  0.0864% (0.03   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  24.70 +/- 2.71   0.004% *  0.4221% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 9 structures by 0.87 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.831, support = 3.53, residual support = 22.9:
          HN    GLU- 114 - QB    ASP- 113   2.65 +/- 0.23  97.651% * 79.3235% (0.84   3.54  23.02) =  99.520%  kept
          HN    GLN  116 - QB    ASP- 113   5.21 +/- 0.13   1.884% * 19.7034% (0.98   0.75   1.50) =   0.477%
          HN    THR  118 - QB    ASP- 113   6.68 +/- 0.33   0.456% *  0.4292% (0.80   0.02   0.02) =   0.003%
          HN    PHE   60 - QB    ASP- 113  13.06 +/- 0.83   0.008% *  0.3035% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.85 +/- 1.14   0.000% *  0.2403% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 3.39, residual support = 14.2:
      O   HN    ASP- 113 - QB    ASP- 113   2.14 +/- 0.09  99.998% * 99.9821% (0.98  10.0   3.39  14.18) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.20 +/- 1.47   0.002% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.02, residual support = 0.02:
        T QG1   ILE   56 - HA    ASP- 113   8.38 +/- 1.21  98.113% * 39.4133% (0.41 10.00   0.02   0.02) =  99.020%  kept
        T HB3   LYS+  99 - HA    ASP- 113  20.62 +/- 1.21   0.646% * 50.4393% (0.53 10.00   0.02   0.02) =   0.834%  kept
          HB    ILE   89 - HA    ASP- 113  20.71 +/- 0.86   0.540% *  8.8499% (0.92  1.00   0.02   0.02) =   0.122%
          HB    VAL   43 - HA    ASP- 113  19.98 +/- 0.73   0.702% *  1.2975% (0.14  1.00   0.02   0.02) =   0.023%
    Distance limit 3.63 A violated in 20 structures by 4.74 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.793, support = 4.03, residual support = 49.6:
      O   HN    GLU- 114 - HA    GLU- 114   2.83 +/- 0.03  53.314% * 54.9188% (0.84  10.0   3.62  43.78) =  88.220%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.01  11.989% * 29.6596% (0.45  10.0   7.60 102.48) =  10.714%  kept
          HN    GLN  116 - HA    GLU- 114   4.69 +/- 0.17   2.613% *  9.9386% (0.98   1.0   3.08   0.18) =   0.782%  kept
          HN    GLU- 114 - HA    LEU  115   5.09 +/- 0.10   1.572% *  5.3087% (0.38   1.0   4.20  14.57) =   0.251%
          HN    THR  118 - HA    GLU- 114   3.84 +/- 0.48  11.482% *  0.0526% (0.80   1.0   0.02   0.02) =   0.018%
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.30  18.866% *  0.0242% (0.37   1.0   0.02   0.02) =   0.014%
          HN    PHE   60 - HA    LEU  115   7.73 +/- 0.72   0.155% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.27 +/- 0.71   0.008% *  0.0372% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.31 +/- 1.39   0.000% *  0.0295% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.72 +/- 0.82   0.001% *  0.0136% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.569, support = 6.63, residual support = 159.1:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.03  79.949% * 31.4756% (0.41  10.0   7.44 227.80) =  67.772%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.60 +/- 0.03  17.496% * 68.3936% (0.90  10.0   4.91  14.57) =  32.226%  kept
          HN    ASP- 113 - HA    GLU- 114   5.13 +/- 0.14   2.120% *  0.0212% (0.28   1.0   0.02  23.02) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.82 +/- 0.26   0.388% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  11.81 +/- 1.09   0.016% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.71 +/- 1.07   0.032% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.76, residual support = 43.8:
      O   HN    GLU- 114 - QB    GLU- 114   2.33 +/- 0.18  96.773% * 99.6664% (0.81  10.0   3.76  43.78) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.64 +/- 0.41   2.109% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   4.99 +/- 0.32   1.099% *  0.1170% (0.95   1.0   0.02   0.18) =   0.001%
          HN    PHE   60 - QB    GLU- 114  10.27 +/- 0.92   0.017% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.12 +/- 1.15   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.856, support = 4.8, residual support = 14.7:
          HN    LEU  115 - QB    GLU- 114   2.86 +/- 0.42  93.011% * 82.6187% (0.87   4.83  14.57) =  98.490%  kept
          HN    ASP- 113 - QB    GLU- 114   4.59 +/- 0.30   6.913% * 17.0391% (0.27   3.21  23.02) =   1.510%  kept
          HN    PHE   97 - QB    GLU- 114   9.84 +/- 0.87   0.076% *  0.3422% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.31, residual support = 43.1:
          HN    GLU- 114 - QG    GLU- 114   2.46 +/- 0.36  96.898% * 53.2424% (0.83   4.33  43.78) =  98.530%  kept
          HN    GLN  116 - QG    GLU- 114   5.46 +/- 0.76   1.658% * 46.2229% (0.98   3.20   0.18) =   1.463%  kept
          HN    THR  118 - QG    GLU- 114   5.48 +/- 0.60   1.419% *  0.2359% (0.80   0.02   0.02) =   0.006%
          HN    PHE   60 - QG    GLU- 114  11.06 +/- 1.51   0.025% *  0.1668% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  18.89 +/- 1.15   0.001% *  0.1321% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.98, residual support = 14.6:
          HN    LEU  115 - QG    GLU- 114   3.50 +/- 1.01  99.666% * 98.3088% (0.45   4.98  14.57) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.40 +/- 1.09   0.332% *  0.3948% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.90 +/- 1.20   0.002% *  0.4633% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  33.25 +/- 2.50   0.000% *  0.8331% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 1.64, residual support = 5.54:
          QG1   VAL  107 - QG    GLU- 114   3.16 +/- 0.58  99.290% * 97.0908% (0.98   1.64   5.54) =  99.995%  kept
          HD3   LYS+ 112 - QG    GLU- 114   8.39 +/- 0.59   0.421% *  1.0102% (0.83   0.02   0.96) =   0.004%
          HG13  ILE  119 - QG    GLU- 114   8.98 +/- 1.10   0.283% *  0.2692% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  19.39 +/- 1.40   0.002% *  1.1164% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  19.02 +/- 1.28   0.003% *  0.2118% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.57 +/- 1.43   0.001% *  0.3016% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.987, residual support = 5.54:
        T QG2   VAL  107 - QB    GLU- 114   2.93 +/- 0.56  99.514% * 98.9146% (0.59 10.00   0.99   5.54) =  99.999%  kept
          HG13  ILE  119 - QB    GLU- 114   8.19 +/- 0.93   0.316% *  0.2138% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114   9.75 +/- 1.18   0.118% *  0.2760% (0.81  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QB    GLU- 114  11.90 +/- 1.24   0.050% *  0.0654% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  19.10 +/- 0.77   0.002% *  0.3297% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.01 +/- 1.34   0.001% *  0.2004% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.25, residual support = 227.8:
      O T HA    LEU  115 - HB3   LEU  115   2.28 +/- 0.18  99.604% * 97.8960% (0.92  10.0 10.00   6.25 227.80) =  99.998%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.32 +/- 0.26   0.307% *  0.4755% (0.45   1.0 10.00   0.02  14.57) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  11.11 +/- 1.10   0.010% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.41 +/- 0.32   0.046% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.26 +/- 1.23   0.019% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  16.47 +/- 0.84   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  13.22 +/- 2.08   0.007% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.54 +/- 0.82   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.30 +/- 1.30   0.001% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.75 +/- 0.78   0.001% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  19.41 +/- 1.29   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.49 +/- 0.54   0.000% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.86 +/- 1.29   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  22.32 +/- 1.53   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  25.07 +/- 1.17   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  23.57 +/- 1.18   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.58 +/- 0.22   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  26.63 +/- 1.11   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.74 +/- 1.11   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  22.99 +/- 0.80   0.000% *  0.0038% (0.04   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 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 227.8:
      O T QD1   LEU  115 - HB3   LEU  115   2.32 +/- 0.29  99.984% * 99.7570% (0.87  10.0 10.00   6.14 227.80) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  11.36 +/- 0.93   0.010% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  16.32 +/- 1.09   0.001% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  12.98 +/- 0.47   0.004% *  0.0132% (0.12   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 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.35, residual support = 227.8:
      O T QD2   LEU  115 - HB3   LEU  115   2.80 +/- 0.41  93.567% * 98.9032% (0.45  10.0 10.00   7.35 227.80) =  99.994%  kept
          QD1   LEU   63 - HB3   LEU  115   6.07 +/- 1.41   2.374% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB3   LEU  115   7.59 +/- 1.30   0.432% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   40   6.22 +/- 0.41   1.232% *  0.0097% (0.04   1.0  1.00   0.02  19.69) =   0.000%
          QD1   LEU  104 - HB3   LEU   40   6.15 +/- 0.84   1.371% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   7.83 +/- 0.98   0.316% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.42 +/- 0.80   0.528% *  0.0058% (0.03   1.0  1.00   0.02   8.87) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   9.63 +/- 1.25   0.109% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40  11.13 +/- 0.93   0.032% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.01 +/- 0.96   0.006% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  15.79 +/- 1.34   0.004% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  16.89 +/- 0.99   0.003% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.83 +/- 0.87   0.009% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.51 +/- 1.05   0.007% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.78 +/- 1.27   0.002% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.43 +/- 1.46   0.002% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.23 +/- 1.60   0.004% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.50 +/- 1.48   0.003% *  0.0058% (0.03   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 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.958, support = 7.82, residual support = 96.3:
          HN    GLN  116 - HB3   LEU  115   3.95 +/- 0.40  41.660% * 69.6179% (0.98   8.17 102.48) =  93.374%  kept
          HN    GLU- 114 - HB3   LEU  115   5.64 +/- 0.45   5.157% * 25.5099% (0.84   3.51  14.57) =   4.235%  kept
          HN    LEU   71 - HB3   LEU   40   4.06 +/- 0.83  43.132% *  1.1699% (0.05   2.56   1.80) =   1.625%  kept
          HN    THR  118 - HB3   LEU  115   5.43 +/- 0.25   6.780% *  3.4610% (0.80   0.50   0.02) =   0.755%  kept
          HN    PHE   60 - HB3   LEU  115   6.78 +/- 1.18   3.241% *  0.0985% (0.57   0.02   0.02) =   0.010%
          HN    LEU   71 - HB3   LEU  115  18.72 +/- 1.08   0.004% *  0.0780% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.48 +/- 1.11   0.012% *  0.0163% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  16.40 +/- 0.98   0.008% *  0.0116% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.83 +/- 1.05   0.004% *  0.0200% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.43 +/- 1.06   0.002% *  0.0170% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.49, residual support = 227.8:
      O   HN    LEU  115 - HB3   LEU  115   3.17 +/- 0.33  98.680% * 99.8421% (0.90  10.0   7.49 227.80) = 100.000%  kept
          HN    ASP- 113 - HB3   LEU  115   6.72 +/- 0.75   1.155% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  12.12 +/- 1.28   0.045% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40  10.13 +/- 0.58   0.117% *  0.0117% (0.11   1.0   0.02   0.73) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.92 +/- 0.88   0.003% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.54 +/- 1.08   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.23:
        T HA    LYS+ 112 - HB2   LEU  115   2.93 +/- 0.65  99.906% * 99.6055% (0.69 10.00   0.75   2.23) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  13.02 +/- 1.28   0.053% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  12.63 +/- 1.19   0.040% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  25.42 +/- 1.91   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.902, support = 1.94, residual support = 5.79:
          QD    PHE   55 - HB2   LEU  115   5.29 +/- 1.19  58.714% * 60.3772% (0.87   2.25   7.58) =  69.552%  kept
          QE    PHE   95 - HB2   LEU  115   6.36 +/- 2.30  41.035% * 37.8166% (0.98   1.25   1.71) =  30.446%  kept
          HN    LEU   67 - HB2   LEU  115  14.61 +/- 1.22   0.138% *  0.4002% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   LEU  115  16.29 +/- 1.19   0.083% *  0.1910% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  21.22 +/- 1.14   0.015% *  0.4954% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  24.55 +/- 1.14   0.006% *  0.5971% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  23.82 +/- 1.63   0.009% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 8 structures by 0.85 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 7.42, residual support = 99.1:
          HN    GLN  116 - HB2   LEU  115   3.29 +/- 0.36  81.100% * 80.7973% (0.80   7.56 102.48) =  96.134%  kept
          HN    GLU- 114 - HB2   LEU  115   4.51 +/- 0.36  14.114% * 18.5791% (0.34   4.08  14.57) =   3.847%  kept
          HN    THR  118 - HB2   LEU  115   5.51 +/- 0.24   4.056% *  0.2617% (0.98   0.02   0.02) =   0.016%
          HN    PHE   60 - HB2   LEU  115   7.90 +/- 1.15   0.730% *  0.2617% (0.98   0.02   0.02) =   0.003%
          HN    GLU-  15 - HB2   LEU  115  26.46 +/- 1.52   0.000% *  0.1002% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.37, residual support = 227.8:
      O   HN    LEU  115 - HB2   LEU  115   2.18 +/- 0.34  99.361% * 99.8692% (0.90  10.0   7.37 227.80) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.39 +/- 0.59   0.632% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  12.86 +/- 1.10   0.007% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.499, support = 5.53, residual support = 71.6:
      O   HN    GLU- 114 - HA    GLU- 114   2.83 +/- 0.03  53.267% * 15.9828% (0.19  10.0   3.62  43.78) =  50.064%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.01  11.978% * 68.5510% (0.82  10.0   7.60 102.48) =  48.286%  kept
          HN    GLU- 114 - HA    LEU  115   5.09 +/- 0.10   1.570% * 12.2698% (0.70   1.0   4.20  14.57) =   1.133%  kept
          HN    GLN  116 - HA    GLU- 114   4.69 +/- 0.17   2.610% *  2.8924% (0.22   1.0   3.08   0.18) =   0.444%
          HN    THR  118 - HA    LEU  115   3.43 +/- 0.30  18.851% *  0.0560% (0.67   1.0   0.02   0.02) =   0.062%
          HN    THR  118 - HA    GLU- 114   3.84 +/- 0.48  11.472% *  0.0153% (0.18   1.0   0.02   0.02) =   0.010%
          HN    PHE   60 - HA    LEU  115   7.73 +/- 0.72   0.155% *  0.0396% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.88 +/- 1.15   0.076% *  0.0222% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.34 +/- 0.94   0.006% *  0.0384% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.71 +/- 1.02   0.003% *  0.0328% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.27 +/- 0.71   0.008% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  15.85 +/- 1.07   0.002% *  0.0314% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.72 +/- 0.82   0.001% *  0.0314% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.31 +/- 1.39   0.000% *  0.0086% (0.10   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  24.35 +/- 1.14   0.000% *  0.0176% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.718, support = 7.3, residual support = 215.7:
      O   HN    LEU  115 - HA    LEU  115   2.80 +/- 0.03  79.937% * 78.3350% (0.75  10.0   7.44 227.80) =  94.350%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.60 +/- 0.03  17.493% * 21.4329% (0.20  10.0   4.91  14.57) =   5.649%  kept
          HN    ASP- 113 - HA    GLU- 114   5.13 +/- 0.14   2.120% *  0.0066% (0.06   1.0   0.02  23.02) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.82 +/- 0.26   0.388% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.71 +/- 1.07   0.032% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.06 +/- 0.91   0.009% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  11.81 +/- 1.09   0.016% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.31 +/- 1.13   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  20.34 +/- 1.00   0.001% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 7.59, residual support = 227.8:
          HN    LEU  115 - HG    LEU  115   3.67 +/- 0.69  94.536% * 99.4510% (0.78   7.59 227.80) =  99.995%  kept
          HN    ASP- 113 - HG    LEU  115   6.26 +/- 1.19   4.269% *  0.0813% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   8.35 +/- 0.74   1.115% *  0.0890% (0.26   0.02   0.73) =   0.001%
          HN    PHE   97 - HG    LEU  115  13.71 +/- 1.22   0.065% *  0.2621% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  17.67 +/- 1.24   0.012% *  0.0890% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  21.27 +/- 1.33   0.004% *  0.0276% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.22 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  10.89 +/- 1.40 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 7.11 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.901, support = 2.04, residual support = 6.89:
          QD    PHE   55 - QD1   LEU  115   3.54 +/- 1.29  69.535% * 75.4770% (0.95   2.17   7.58) =  88.244%  kept
          QE    PHE   95 - QD1   LEU  115   5.68 +/- 2.58  30.315% * 23.0630% (0.57   1.11   1.71) =  11.755%  kept
          HN    LEU   67 - QD1   LEU  115  11.84 +/- 1.32   0.135% *  0.1458% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  17.93 +/- 1.39   0.007% *  0.7219% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  20.23 +/- 1.59   0.003% *  0.3875% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  18.35 +/- 1.50   0.005% *  0.2048% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.39, residual support = 28.1:
          QD    PHE   59 - QD1   LEU  115   3.77 +/- 1.00  99.680% * 98.6961% (0.95   4.39  28.07) =  99.999%  kept
          HH2   TRP   49 - QD1   LEU  115  12.18 +/- 1.72   0.296% *  0.3966% (0.84   0.02   0.02) =   0.001%
          HD1   TRP   27 - QD1   LEU  115  19.29 +/- 1.46   0.013% *  0.4491% (0.95   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  19.65 +/- 1.89   0.011% *  0.4582% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 6 structures by 0.62 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.826, support = 0.02, residual support = 1.68:
          QD    PHE   95 - QD2   LEU  115   6.46 +/- 1.42  94.223% * 75.7271% (0.84   0.02   1.71) =  98.073%  kept
          HN    ALA   47 - QD2   LEU  115  11.10 +/- 1.15   5.777% * 24.2729% (0.27   0.02   0.02) =   1.927%  kept
    Distance limit 3.40 A violated in 19 structures by 3.06 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.895, support = 2.62, residual support = 28.1:
          QE    PHE   59 - QD2   LEU  115   4.09 +/- 1.12  64.032% * 83.3256% (0.89   2.83  28.07) =  90.613%  kept
          HN    PHE   59 - QD2   LEU  115   4.95 +/- 1.02  34.818% * 15.8643% (0.93   0.52  28.07) =   9.381%  kept
          HN    HIS  122 - QD2   LEU  115   8.58 +/- 0.86   0.866% *  0.2855% (0.43   0.02   0.02) =   0.004%
          HN    LYS+  66 - QD2   LEU  115  10.60 +/- 1.01   0.270% *  0.2855% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  18.18 +/- 2.08   0.014% *  0.2390% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 8 structures by 0.83 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.98, residual support = 13.6:
        T QD1   ILE  119 - HA    GLN  116   3.07 +/- 0.73  99.758% * 99.5742% (0.61 10.00   3.98  13.60) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  12.50 +/- 2.21   0.082% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.55 +/- 0.92   0.080% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.68 +/- 1.08   0.029% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  16.80 +/- 0.99   0.008% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  14.17 +/- 0.93   0.022% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.89 +/- 1.24   0.017% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.90 +/- 1.74   0.004% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 102.5:
          QD2   LEU  115 - HA    GLN  116   2.57 +/- 0.46  99.484% * 98.5628% (0.92   6.30 102.48) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   7.30 +/- 0.97   0.301% *  0.3321% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    GLN  116   7.85 +/- 1.06   0.205% *  0.1519% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.86 +/- 1.18   0.008% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  19.03 +/- 1.19   0.001% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.82 +/- 1.55   0.001% *  0.3039% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  20.55 +/- 1.78   0.001% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 1.5, residual support = 13.6:
          HN    ILE  119 - HA    GLN  116   3.44 +/- 0.19  99.995% * 95.3511% (0.57   1.50  13.60) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.82 +/- 1.25   0.001% *  2.1671% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  20.86 +/- 1.13   0.002% *  0.7660% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.74 +/- 1.08   0.000% *  1.2713% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.36 +/- 1.17   0.000% *  0.4444% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 7.0, residual support = 114.2:
      O   HN    GLN  116 - HA    GLN  116   2.75 +/- 0.05  92.997% * 90.2697% (0.98  10.0   7.03 115.03) =  99.268%  kept
          HN    THR  118 - HA    GLN  116   4.35 +/- 0.29   6.468% *  9.5599% (0.80   1.0   2.59   0.02) =   0.731%  kept
          HN    GLU- 114 - HA    GLN  116   6.79 +/- 0.22   0.422% *  0.0769% (0.84   1.0   0.02   0.18) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.14 +/- 1.13   0.113% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  19.02 +/- 1.23   0.001% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 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   3.07 +/- 0.52  99.612% * 66.5564% (0.49  1.00   0.75   1.50) =  99.973%  kept
          HA    ILE   56 - HB2   GLN  116   9.11 +/- 1.04   0.314% *  3.5189% (0.97  1.00   0.02   0.02) =   0.017%
        T HA    PRO   58 - HB2   GLN  116  12.83 +/- 1.27   0.035% * 14.9903% (0.41 10.00   0.02   0.02) =   0.008%
          HA    LEU  123 - HB2   GLN  116  12.50 +/- 0.64   0.035% *  3.6382% (1.00  1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HB2   GLN  116  21.15 +/- 1.19   0.001% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.38 +/- 1.32   0.001% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.92 +/- 1.22   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  26.89 +/- 1.23   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  32.65 +/- 1.96   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 102.5:
          QD2   LEU  115 - HB2   GLN  116   3.34 +/- 0.64  99.310% * 97.5351% (0.45   7.02 102.48) =  99.996%  kept
          QD1   LEU   63 - HB2   GLN  116   9.24 +/- 0.85   0.361% *  0.4960% (0.80   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   GLN  116   9.91 +/- 1.03   0.283% *  0.5719% (0.92   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN  116  15.00 +/- 1.15   0.025% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  20.85 +/- 1.06   0.003% *  0.4960% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.21 +/- 0.93   0.007% *  0.2325% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.70 +/- 0.92   0.008% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  22.29 +/- 1.37   0.002% *  0.2547% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  21.99 +/- 1.41   0.002% *  0.1379% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 102.5:
          QD2   LEU  115 - HG2   GLN  116   2.53 +/- 0.60  99.696% * 98.7347% (1.00   6.65 102.48) =  99.999%  kept
          QD1   LEU   63 - HG2   GLN  116   8.68 +/- 0.89   0.166% *  0.2479% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG2   GLN  116   9.39 +/- 1.02   0.129% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  15.53 +/- 1.24   0.007% *  0.2662% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  20.27 +/- 1.22   0.001% *  0.2479% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.76 +/- 1.64   0.001% *  0.2962% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  21.59 +/- 1.82   0.001% *  0.1331% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.42, residual support = 115.0:
      O   HE21  GLN  116 - HG2   GLN  116   2.66 +/- 0.64  97.592% * 99.6673% (0.65  10.0   4.42 115.03) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   6.14 +/- 0.72   2.281% *  0.0428% (0.28   1.0   0.02   0.02) =   0.001%
          HN    ALA   57 - HG2   GLN  116   9.67 +/- 1.52   0.126% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  23.35 +/- 2.17   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.28 +/- 1.33   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.03, residual support = 115.0:
          HN    GLN  116 - HG2   GLN  116   3.16 +/- 0.43  96.123% * 99.0579% (0.80   7.03 115.03) =  99.988%  kept
          HN    THR  118 - HG2   GLN  116   6.16 +/- 0.43   2.598% *  0.3450% (0.98   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG2   GLN  116   6.92 +/- 0.60   0.993% *  0.1201% (0.34   0.02   0.18) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.80 +/- 1.50   0.286% *  0.3450% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  26.62 +/- 1.86   0.000% *  0.1321% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.542, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HB2   GLN  116   7.90 +/- 1.03  71.916% *  6.8436% (0.34   0.02   0.02) =  53.041%  kept
          QE    PHE   95 - HB2   GLN  116   9.77 +/- 1.21  26.444% * 15.3326% (0.76   0.02   0.02) =  43.696%  kept
          HN    LEU   67 - HB2   GLN  116  15.66 +/- 1.14   1.236% * 20.0629% (1.00   0.02   0.02) =   2.672%  kept
          HD1   TRP   49 - HB2   GLN  116  21.00 +/- 1.52   0.224% * 16.7579% (0.84   0.02   0.02) =   0.405%
          HD2   HIS   22 - HB2   GLN  116  27.57 +/- 1.76   0.045% * 13.7814% (0.69   0.02   0.02) =   0.068%
          HN    THR   23 - HB2   GLN  116  28.62 +/- 1.16   0.033% * 16.0651% (0.80   0.02   0.02) =   0.057%
          HE3   TRP   27 - HB2   GLN  116  24.84 +/- 0.99   0.076% *  5.5782% (0.28   0.02   0.02) =   0.046%
          HD21  ASN   35 - HB2   GLN  116  30.25 +/- 1.41   0.026% *  5.5782% (0.28   0.02   0.02) =   0.016%
    Distance limit 3.73 A violated in 20 structures by 3.66 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.64, residual support = 115.0:
      O   HN    GLN  116 - HB2   GLN  116   2.15 +/- 0.11  98.799% * 99.7303% (0.98  10.0   7.64 115.03) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.10 +/- 0.41   0.628% *  0.0850% (0.84   1.0   0.02   0.18) =   0.001%
          HN    THR  118 - HB2   GLN  116   5.14 +/- 0.18   0.566% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  11.24 +/- 1.12   0.007% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  21.49 +/- 1.22   0.000% *  0.0456% (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 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.88, residual support = 26.9:
          HN    SER  117 - HB2   GLN  116   2.95 +/- 0.21 100.000% * 99.5598% (0.98   4.88  26.88) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  25.09 +/- 1.20   0.000% *  0.3476% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  27.90 +/- 1.26   0.000% *  0.0926% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.88, residual support = 26.9:
      O   HN    SER  117 - HA    GLN  116   3.61 +/- 0.03  99.997% * 99.8922% (0.98  10.0   4.88  26.88) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  22.41 +/- 1.23   0.002% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  26.58 +/- 1.32   0.001% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 1.93, residual support = 5.52:
        T QB    ALA  120 - HA    SER  117   2.69 +/- 0.37  93.991% * 98.2618% (0.92 10.00   1.93   5.53) =  99.940%  kept
          HD2   LYS+ 121 - HA    SER  117   5.49 +/- 1.68   5.530% *  1.0010% (0.18  1.00   1.04   0.02) =   0.060%
          HG    LEU  115 - HA    SER  117   7.42 +/- 0.71   0.317% *  0.1017% (0.92  1.00   0.02   1.94) =   0.000%
          HB3   LEU  115 - HA    SER  117   8.19 +/- 0.26   0.147% *  0.0414% (0.38  1.00   0.02   1.94) =   0.000%
          HG    LEU   67 - HA    SER  117  15.43 +/- 2.83   0.007% *  0.0536% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.77 +/- 1.42   0.002% *  0.1102% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.80 +/- 1.65   0.003% *  0.0414% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.79 +/- 0.89   0.000% *  0.3064% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.78 +/- 1.14   0.002% *  0.0245% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  22.12 +/- 1.12   0.000% *  0.0580% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.372, support = 1.09, residual support = 10.9:
          HN    ALA  120 - HA    SER  117   3.45 +/- 0.19  95.015% * 13.0001% (0.28   0.75   5.53) =  74.629%  kept
          HE21  GLN  116 - HA    SER  117   6.40 +/- 1.24   4.960% * 84.6540% (0.65   2.10  26.88) =  25.370%  kept
          HN    ALA   57 - HA    SER  117  14.11 +/- 0.96   0.023% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  24.24 +/- 2.51   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  27.59 +/- 1.78   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.49, residual support = 14.9:
      O   HN    SER  117 - HA    SER  117   2.78 +/- 0.04 100.000% * 99.9049% (0.57  10.0   3.49  14.87) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.91 +/- 1.31   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.91 +/- 1.04   0.000% *  0.0349% (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 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.223, support = 0.0197, residual support = 0.0197:
          HN    LYS+  81 - QB    SER   85   7.03 +/- 0.37  42.683% *  3.4992% (0.12   0.02   0.02) =  30.261%  kept
          HN    LYS+  81 - QB    SER   48   8.34 +/- 1.21  20.337% *  5.8981% (0.20   0.02   0.02) =  24.302%  kept
          QD    PHE   55 - QB    SER  117  10.00 +/- 0.96   6.179% * 14.4446% (0.49   0.02   0.02) =  18.084%  kept
          QE    PHE   95 - QB    SER  117   8.50 +/- 0.83  15.578% *  4.5788% (0.15   0.02   0.02) =  14.452%  kept
          QD    PHE   60 - QB    SER  117  12.41 +/- 1.15   2.270% * 12.2000% (0.41   0.02   0.02) =   5.612%  kept
          QD    PHE   60 - QB    SER   48   9.79 +/- 1.28   7.169% *  3.1728% (0.11   0.02   0.02) =   4.608%  kept
          QD    PHE   55 - QB    SER   48  13.37 +/- 0.66   0.911% *  3.7566% (0.13   0.02   0.02) =   0.693%  kept
          QE    PHE   95 - QB    SER   48  12.46 +/- 2.04   2.286% *  1.1908% (0.04   0.02   0.02) =   0.552%  kept
          HE3   TRP   27 - QB    SER   85  13.39 +/- 0.74   0.912% *  2.5923% (0.09   0.02   0.02) =   0.479%
          HE3   TRP   27 - QB    SER   48  16.05 +/- 1.26   0.317% *  4.3694% (0.15   0.02   0.02) =   0.280%
          HE3   TRP   27 - QB    SER  117  20.99 +/- 0.98   0.063% * 16.8009% (0.57   0.02   0.02) =   0.215%
          QD    PHE   60 - QB    SER   85  14.65 +/- 0.68   0.504% *  1.8824% (0.06   0.02   0.02) =   0.192%
          HN    LYS+  81 - QB    SER  117  24.01 +/- 0.74   0.027% * 22.6789% (0.76   0.02   0.02) =   0.124%
          QE    PHE   95 - QB    SER   85  14.54 +/- 1.10   0.649% *  0.7065% (0.02   0.02   0.02) =   0.093%
          QD    PHE   55 - QB    SER   85  18.98 +/- 1.28   0.114% *  2.2287% (0.08   0.02   0.02) =   0.051%
    Distance limit 3.80 A violated in 20 structures by 2.28 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.78, residual support = 37.2:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.78  37.19) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 1.56, residual support = 5.94:
          QG1   VAL  107 - HB    THR  118   2.31 +/- 0.45  97.438% * 57.5377% (0.98   1.50   5.32) =  98.200%  kept
          HG13  ILE  119 - HB    THR  118   4.84 +/- 0.38   2.521% * 40.7538% (0.22   4.68  39.49) =   1.800%  kept
          HD3   LYS+ 112 - HB    THR  118  10.10 +/- 1.29   0.039% *  0.6537% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  20.12 +/- 1.20   0.000% *  0.7225% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.70 +/- 0.99   0.000% *  0.1371% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  21.22 +/- 1.12   0.000% *  0.1952% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 1.78, residual support = 10.8:
          QE    PHE   59 - HB    THR  118   2.84 +/- 1.13  96.559% * 40.8131% (0.45   1.80  11.14) =  95.896%  kept
          HN    HIS  122 - HB    THR  118   6.99 +/- 0.18   2.928% * 57.4676% (0.92   1.23   2.79) =   4.094%  kept
          HN    PHE   59 - HB    THR  118   8.53 +/- 0.65   0.499% *  0.8434% (0.84   0.02  11.14) =   0.010%
          HH2   TRP   87 - HB    THR  118  17.97 +/- 1.55   0.015% *  0.8759% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.6, residual support = 37.2:
      O   HN    THR  118 - HB    THR  118   2.20 +/- 0.17  98.948% * 99.7459% (0.98  10.0   3.60  37.19) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   4.92 +/- 0.23   0.826% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.39 +/- 0.32   0.188% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   8.48 +/- 0.64   0.038% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.36 +/- 1.07   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.78, residual support = 37.2:
      O T QG2   THR  118 - HA    THR  118   2.59 +/- 0.16 100.000% *100.0000% (0.14  10.0 10.00   3.78  37.19) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.746, support = 2.13, residual support = 12.0:
          QG1   VAL  107 - HA    THR  118   4.01 +/- 0.25  92.405% * 24.6419% (0.88  1.00   1.50   5.32) =  80.393%  kept
        T HG13  ILE  119 - HA    THR  118   6.21 +/- 0.30   7.441% * 74.6264% (0.20 10.00   4.70  39.49) =  19.606%  kept
          HD3   LYS+ 112 - HA    THR  118  12.21 +/- 1.12   0.138% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  21.10 +/- 1.30   0.005% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.89 +/- 1.54   0.005% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.47 +/- 1.18   0.006% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 1 structures by 0.53 A, kept.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 2.55, residual support = 8.48:
        T HB3   LYS+ 121 - HA    THR  118   3.44 +/- 0.31  36.931% * 66.0376% (0.22 10.00   2.60   8.48) =  54.179%  kept
          HD2   LYS+ 121 - HA    THR  118   3.13 +/- 1.40  62.867% * 32.8093% (0.89  1.00   2.50   8.48) =  45.821%  kept
          QD    LYS+  66 - HA    THR  118  11.62 +/- 1.83   0.035% *  0.1923% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  11.05 +/- 1.42   0.071% *  0.0660% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.99 +/- 1.30   0.069% *  0.0464% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  15.50 +/- 1.02   0.005% *  0.2648% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.00 +/- 1.18   0.017% *  0.0590% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.63 +/- 1.26   0.002% *  0.2212% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.33 +/- 1.05   0.001% *  0.2625% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.66 +/- 1.62   0.003% *  0.0409% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.684, support = 0.0199, residual support = 39.2:
        T HB    ILE  119 - HA    THR  118   5.83 +/- 0.12  92.435% * 57.0728% (0.69 10.00   0.02  39.49) =  99.172%  kept
          HB2   PRO   93 - HA    THR  118  10.55 +/- 1.51   3.871% *  7.0645% (0.85  1.00   0.02   0.02) =   0.514%  kept
          HB    VAL  108 - HA    THR  118  11.22 +/- 0.40   1.870% *  7.0645% (0.85  1.00   0.02   0.02) =   0.248%
          HG2   PRO   58 - HA    THR  118  12.88 +/- 0.93   0.864% *  1.3079% (0.16  1.00   0.02   0.02) =   0.021%
          HB3   PRO   68 - HA    THR  118  14.42 +/- 1.96   0.580% *  1.1523% (0.14  1.00   0.02   0.02) =   0.013%
          HB2   ARG+  54 - HA    THR  118  19.08 +/- 1.07   0.083% *  7.3202% (0.88  1.00   0.02   0.02) =   0.011%
          HB3   GLU- 100 - HA    THR  118  18.66 +/- 1.39   0.097% *  5.1298% (0.62  1.00   0.02   0.02) =   0.009%
          HB2   GLN   30 - HA    THR  118  21.05 +/- 1.77   0.050% *  5.7073% (0.69  1.00   0.02   0.02) =   0.005%
          HG3   GLN   30 - HA    THR  118  21.83 +/- 1.93   0.041% *  3.3482% (0.40  1.00   0.02   0.02) =   0.003%
          HG3   PRO   52 - HA    THR  118  18.78 +/- 1.21   0.090% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  14 - HA    THR  118  25.46 +/- 1.49   0.014% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.68 +/- 3.26   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 20 structures by 2.00 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.401, support = 0.02, residual support = 39.4:
        T HG12  ILE  119 - HA    THR  118   5.12 +/- 0.16  98.845% * 44.9828% (0.40 10.00   0.02  39.49) =  99.760%  kept
          HB2   ASP-  44 - HA    THR  118  11.54 +/- 0.91   0.842% *  9.4912% (0.85  1.00   0.02   0.02) =   0.179%
          HB3   PHE   72 - HA    THR  118  14.71 +/- 1.18   0.196% *  8.7032% (0.78  1.00   0.02   0.02) =   0.038%
          QG    GLN   90 - HA    THR  118  17.89 +/- 1.31   0.064% *  8.0341% (0.72  1.00   0.02   0.02) =   0.012%
          QG    GLU-  15 - HA    THR  118  20.00 +/- 1.39   0.030% *  9.9446% (0.89  1.00   0.02   0.02) =   0.007%
          QG    GLU-  14 - HA    THR  118  22.69 +/- 1.55   0.014% *  9.2620% (0.83  1.00   0.02   0.02) =   0.003%
          QB    MET   11 - HA    THR  118  29.85 +/- 2.58   0.003% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.47 +/- 1.42   0.005% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 20 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 37.2:
      O T HB    THR  118 - HA    THR  118   3.03 +/- 0.05  99.889% * 99.8099% (0.72  10.0 10.00   3.00  37.19) = 100.000%  kept
          HA    PHE   60 - HA    THR  118   9.84 +/- 1.06   0.104% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  16.70 +/- 0.83   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.46 +/- 1.35   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.47 +/- 1.51   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.28 +/- 1.34   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 11.1:
          QD    PHE   59 - HA    THR  118   6.32 +/- 0.43  99.752% * 25.6201% (0.85   0.02  11.14) =  99.761%  kept
          HE21  GLN   30 - HA    THR  118  20.71 +/- 1.99   0.095% * 26.1376% (0.87   0.02   0.02) =   0.097%
          HH2   TRP   49 - HA    THR  118  21.23 +/- 1.60   0.088% * 22.6222% (0.75   0.02   0.02) =   0.078%
          HD1   TRP   27 - HA    THR  118  21.88 +/- 1.46   0.065% * 25.6201% (0.85   0.02   0.02) =   0.065%
    Distance limit 3.44 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.95 +/- 0.29  99.630% * 43.4534% (0.47   0.02   0.02) =  99.761%  kept
          HZ2   TRP   49 - HA    THR  118  20.24 +/- 1.19   0.181% * 40.2018% (0.44   0.02   0.02) =   0.168%
          HE21  GLN   17 - HA    THR  118  20.78 +/- 2.36   0.189% * 16.3448% (0.18   0.02   0.02) =   0.071%
    Distance limit 3.83 A violated in 20 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.31, residual support = 39.5:
      O   HN    ILE  119 - HA    THR  118   3.56 +/- 0.04  99.989% * 99.6357% (0.51  10.0   5.31  39.49) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.09 +/- 1.11   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  18.24 +/- 1.02   0.006% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.40 +/- 1.36   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.57 +/- 1.33   0.002% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.62, residual support = 37.2:
      O   HN    THR  118 - HA    THR  118   2.82 +/- 0.04  99.466% * 99.6520% (0.51  10.0   3.62  37.19) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   6.82 +/- 0.13   0.500% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  10.83 +/- 0.71   0.034% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  22.91 +/- 1.29   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.05, residual support = 37.2:
      O T HA    THR  118 - HB    THR  118   3.03 +/- 0.05  92.727% * 73.7148% (0.38  10.0 10.00   3.00  37.19) =  97.370%  kept
          HA    ILE  119 - HB    THR  118   4.70 +/- 0.26   7.137% * 25.8666% (0.53   1.0  1.00   5.01  39.49) =   2.630%  kept
          HD3   PRO   58 - HB    THR  118  10.02 +/- 0.81   0.082% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.02 +/- 0.85   0.046% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  16.18 +/- 0.59   0.004% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  17.32 +/- 0.80   0.003% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.40 +/- 1.04   0.001% *  0.0881% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.19 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.532, support = 3.65, residual support = 12.9:
          QG1   VAL  107 - QG2   THR  118   2.45 +/- 0.56  88.246% * 31.4716% (0.51   3.12   5.32) =  77.852%  kept
          HG13  ILE  119 - QG2   THR  118   4.42 +/- 0.82  11.700% * 67.5279% (0.62   5.52  39.49) =  22.147%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.19 +/- 1.23   0.046% *  0.3435% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  15.68 +/- 1.07   0.002% *  0.3192% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.93 +/- 0.92   0.002% *  0.2585% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.27 +/- 0.77   0.004% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.257, support = 1.61, residual support = 4.57:
        T HB3   ASP- 105 - QG2   THR  118   4.35 +/- 1.69  72.870% * 81.8989% (0.25 10.00   1.61   4.62) =  96.995%  kept
          QB    LYS+ 106 - QG2   THR  118   5.84 +/- 1.01  11.432% * 15.7351% (0.51  1.00   1.52   3.02) =   2.924%  kept
          HB    ILE   56 - QG2   THR  118   7.83 +/- 1.52  13.135% *  0.3452% (0.85  1.00   0.02   0.02) =   0.074%
          HB3   PRO   58 - QG2   THR  118  10.38 +/- 0.92   0.621% *  0.2507% (0.62  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - QG2   THR  118  11.43 +/- 0.78   0.485% *  0.3166% (0.78  1.00   0.02   0.02) =   0.002%
          HG3   PRO   68 - QG2   THR  118  10.24 +/- 1.76   0.906% *  0.0722% (0.18  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   THR  118  10.55 +/- 1.30   0.242% *  0.0813% (0.20  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.75 +/- 1.09   0.052% *  0.3522% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  14.88 +/- 0.85   0.060% *  0.1636% (0.40  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.20 +/- 1.52   0.106% *  0.0910% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.75 +/- 0.96   0.022% *  0.3641% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  16.24 +/- 0.60   0.036% *  0.1920% (0.47  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.36 +/- 0.73   0.034% *  0.1370% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 5 structures by 0.79 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.645, support = 3.42, residual support = 20.8:
        T HB2   ASP- 105 - QG2   THR  118   4.40 +/- 1.42  38.115% * 64.4702% (0.51 10.00   1.61   4.62) =  53.579%  kept
          HG12  ILE  119 - QG2   THR  118   3.39 +/- 0.67  61.045% * 34.8752% (0.80  1.00   5.51  39.49) =  46.420%  kept
          HB2   ASP-  44 - QG2   THR  118   7.24 +/- 0.79   0.682% *  0.0530% (0.34  1.00   0.02   0.02) =   0.001%
          HB3   PHE   72 - QG2   THR  118  10.51 +/- 0.83   0.082% *  0.0687% (0.44  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.37 +/- 0.92   0.023% *  0.1302% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.07 +/- 0.89   0.022% *  0.0799% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  14.38 +/- 0.96   0.010% *  0.0481% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.87 +/- 1.20   0.010% *  0.0392% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  15.78 +/- 1.06   0.006% *  0.0392% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  20.16 +/- 0.85   0.001% *  0.1383% (0.88  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.70 +/- 1.20   0.003% *  0.0580% (0.37  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.369, support = 4.11, residual support = 37.7:
      O T HA    THR  118 - QG2   THR  118   2.59 +/- 0.16  81.747% * 41.5367% (0.34  10.0 10.00   3.78  37.19) =  76.274%  kept
        T HA    ILE  119 - QG2   THR  118   3.50 +/- 0.35  18.139% * 58.2274% (0.47   1.0 10.00   5.18  39.49) =  23.726%  kept
          HD3   PRO   58 - QG2   THR  118   8.86 +/- 0.89   0.070% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  12.22 +/- 0.71   0.008% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118   9.95 +/- 0.78   0.031% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  13.50 +/- 0.65   0.004% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  17.97 +/- 1.02   0.001% *  0.0496% (0.40   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 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.78, residual support = 37.2:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.474% * 99.8099% (0.72  10.0 10.00   3.78  37.19) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   5.83 +/- 1.05   0.520% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  11.94 +/- 0.70   0.004% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.51 +/- 0.91   0.001% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.96 +/- 0.95   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  20.11 +/- 0.96   0.000% *  0.0311% (0.22   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 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.981, residual support = 2.78:
          HD2   HIS  122 - QG2   THR  118   3.32 +/- 0.10  98.909% * 96.4920% (0.90   0.98   2.79) =  99.987%  kept
          HE22  GLN  116 - QG2   THR  118   8.65 +/- 0.88   0.393% *  1.9618% (0.89   0.02   0.02) =   0.008%
          QD    PHE   45 - QG2   THR  118   7.82 +/- 0.79   0.688% *  0.7379% (0.34   0.02   0.02) =   0.005%
          HE22  GLN   17 - QG2   THR  118  16.33 +/- 2.00   0.010% *  0.8083% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.32 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.51, residual support = 11.1:
          QD    PHE   59 - QG2   THR  118   3.64 +/- 0.92  99.893% * 98.3721% (0.85   3.51  11.14) =  99.999%  kept
          HE21  GLN   30 - QG2   THR  118  15.50 +/- 1.60   0.037% *  0.5721% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG2   THR  118  16.10 +/- 1.09   0.034% *  0.5607% (0.85   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   THR  118  15.91 +/- 1.37   0.035% *  0.4951% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 2 structures by 0.41 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.18, residual support = 39.5:
        T QG2   THR  118 - HA    ILE  119   3.50 +/- 0.35 100.000% *100.0000% (0.57 10.00   5.18  39.49) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.489, support = 4.29, residual support = 41.6:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.03  51.880% * 59.8948% (0.45   4.99  55.36) =  73.918%  kept
          HD2   LYS+ 121 - HA    ILE  119   5.74 +/- 0.83  28.701% * 38.0681% (0.61   2.34   2.64) =  25.990%  kept
          HG    LEU  115 - HA    ILE  119   7.13 +/- 1.13  10.008% *  0.2403% (0.45   0.02   6.54) =   0.057%
          QD    LYS+  66 - HA    ILE  119   7.83 +/- 1.93   8.668% *  0.1336% (0.25   0.02   0.02) =   0.028%
          HG2   LYS+  65 - HA    ILE  119  11.73 +/- 1.08   0.362% *  0.3682% (0.69   0.02   0.02) =   0.003%
          HB3   LEU   40 - HA    ILE  119  12.52 +/- 1.43   0.315% *  0.3682% (0.69   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    ILE  119  16.37 +/- 1.21   0.049% *  0.5172% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  19.22 +/- 0.86   0.018% *  0.4096% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 14 structures by 0.83 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 22.9:
          QD    PHE   59 - HA    ILE  119   4.20 +/- 0.43  99.971% * 97.4843% (0.95   2.25  22.88) = 100.000%  kept
          HE21  GLN   30 - HA    ILE  119  19.44 +/- 2.06   0.015% *  0.8840% (0.97   0.02   0.02) =   0.000%
          HH2   TRP   49 - HA    ILE  119  21.42 +/- 1.62   0.008% *  0.7651% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - HA    ILE  119  21.89 +/- 1.23   0.007% *  0.8665% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 8 structures by 0.97 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.76, residual support = 259.5:
      O   HN    ILE  119 - HA    ILE  119   2.83 +/- 0.01  99.997% * 99.7485% (0.98  10.0   8.76 259.54) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.24 +/- 0.96   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.74 +/- 1.16   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.25 +/- 1.29   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.02 +/- 1.10   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.202, support = 5.82, residual support = 53.0:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  88.906% * 72.3623% (0.18  10.0   6.01  55.36) =  95.712%  kept
          HN    LEU  123 - HA    ILE  119   5.17 +/- 0.18  10.741% * 26.8195% (0.80   1.0   1.62   0.02) =   4.286%  kept
          HN    ALA  124 - HA    ILE  119   9.18 +/- 0.25   0.339% *  0.4050% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  17.55 +/- 2.67   0.013% *  0.4132% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.7, residual support = 13.6:
          HA    GLN  116 - HB    ILE  119   3.08 +/- 0.44  99.973% * 96.7727% (0.84   2.70  13.60) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  14.97 +/- 1.60   0.014% *  0.7174% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.95 +/- 1.18   0.006% *  0.3911% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  18.15 +/- 1.37   0.004% *  0.2294% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.78 +/- 1.45   0.001% *  0.4809% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.88 +/- 1.23   0.000% *  0.5398% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  21.16 +/- 1.27   0.001% *  0.1147% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.52 +/- 1.24   0.000% *  0.4208% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  27.90 +/- 1.24   0.000% *  0.3333% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.524, support = 5.01, residual support = 55.1:
          HN    ALA  120 - HB    ILE  119   2.59 +/- 0.13  89.295% * 93.9658% (0.53   5.03  55.36) =  99.425%  kept
          HE21  GLN  116 - HB    ILE  119   4.84 +/- 1.66  10.067% *  4.8065% (0.22   0.63  13.60) =   0.573%  kept
          HN    LEU  123 - HB    ILE  119   6.08 +/- 0.27   0.581% *  0.1900% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.66 +/- 0.40   0.036% *  0.4930% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  10.79 +/- 1.01   0.021% *  0.1218% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  19.47 +/- 2.99   0.001% *  0.4229% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 259.5:
      O   HN    ILE  119 - HB    ILE  119   2.44 +/- 0.16  99.999% * 99.7485% (0.85  10.0   7.55 259.54) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.42 +/- 1.23   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  21.22 +/- 1.22   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.13 +/- 1.38   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.86 +/- 1.20   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 55.4:
          HA    ALA  120 - QG2   ILE  119   3.60 +/- 0.26  97.023% * 94.9066% (0.57   3.85  55.36) =  99.991%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.73 +/- 0.18   2.402% *  0.1724% (0.20   0.02   2.64) =   0.004%
          HA    LYS+  65 - QG2   ILE  119   9.20 +/- 0.87   0.424% *  0.8240% (0.95   0.02   0.02) =   0.004%
          HA2   GLY   16 - QG2   ILE  119  14.10 +/- 1.37   0.040% *  0.7812% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.51 +/- 1.01   0.020% *  0.6657% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.22 +/- 0.86   0.049% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  16.85 +/- 1.04   0.011% *  0.2971% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.14 +/- 0.85   0.004% *  0.7812% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  17.35 +/- 1.21   0.010% *  0.2688% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.78 +/- 1.04   0.012% *  0.1344% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  20.48 +/- 1.00   0.003% *  0.4583% (0.53   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  22.08 +/- 1.23   0.002% *  0.4932% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.594, support = 5.5, residual support = 53.0:
          HN    ALA  120 - QG2   ILE  119   3.45 +/- 0.22  64.791% * 81.2387% (0.61   5.63  55.36) =  95.798%  kept
          HN    LEU  123 - QG2   ILE  119   4.60 +/- 0.28  12.779% * 17.8413% (0.31   2.43   0.02) =   4.150%  kept
          HE21  GLN  116 - QG2   ILE  119   4.92 +/- 1.48  21.155% *  0.1186% (0.25   0.02  13.60) =   0.046%
          HN    ALA  124 - QG2   ILE  119   7.10 +/- 0.30   0.922% *  0.3807% (0.80   0.02   0.02) =   0.006%
          HN    ALA   57 - QG2   ILE  119   8.98 +/- 0.94   0.329% *  0.0941% (0.20   0.02   0.02) =   0.001%
          HE21  GLN   17 - QG2   ILE  119  14.55 +/- 2.59   0.024% *  0.3266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.88, residual support = 259.5:
          HN    ILE  119 - QG2   ILE  119   3.69 +/- 0.03  99.975% * 99.2750% (0.80   7.88 259.54) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  18.13 +/- 1.03   0.008% *  0.3037% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.77 +/- 1.19   0.013% *  0.1073% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  20.06 +/- 1.32   0.004% *  0.3140% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.857, support = 1.38, residual support = 5.78:
          QD2   LEU  115 - HG12  ILE  119   3.82 +/- 1.09  60.734% * 79.1533% (0.90   1.50   6.54) =  87.923%  kept
          QD1   LEU   63 - HG12  ILE  119   4.36 +/- 0.88  39.109% * 16.8813% (0.57   0.51   0.21) =  12.075%  kept
          QD1   LEU  104 - HG12  ILE  119  11.88 +/- 1.24   0.086% *  1.1768% (1.00   0.02   0.02) =   0.002%
          QG2   ILE   89 - HG12  ILE  119  12.76 +/- 0.86   0.048% *  0.1816% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  16.10 +/- 1.00   0.010% *  0.6662% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  17.99 +/- 1.46   0.007% *  0.8545% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  18.20 +/- 1.36   0.005% *  1.0863% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.852, support = 1.36, residual support = 5.69:
          QD2   LEU  115 - HG13  ILE  119   4.05 +/- 1.66  56.361% * 79.8789% (0.90   1.50   6.54) =  86.527%  kept
          QD1   LEU   63 - HG13  ILE  119   4.73 +/- 1.39  43.480% * 16.1194% (0.57   0.48   0.21) =  13.470%  kept
          QD1   LEU  104 - HG13  ILE  119  12.53 +/- 1.50   0.086% *  1.1876% (1.00   0.02   0.02) =   0.002%
          QD1   LEU   73 - HG13  ILE  119  16.36 +/- 1.42   0.013% *  0.6723% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.39 +/- 0.88   0.045% *  0.1832% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  18.49 +/- 1.60   0.009% *  0.8624% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.54 +/- 1.59   0.006% *  1.0963% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  10.50 +/- 1.76 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 6.92 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 22.9:
          QD    PHE   59 - HG13  ILE  119   2.79 +/- 0.73  99.996% * 98.1796% (0.95   3.13  22.88) = 100.000%  kept
          HH2   TRP   49 - HG13  ILE  119  19.42 +/- 1.80   0.002% *  0.5537% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG13  ILE  119  20.65 +/- 2.68   0.001% *  0.6397% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  22.44 +/- 1.79   0.001% *  0.6271% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.14, residual support = 259.5:
          HN    ILE  119 - HG13  ILE  119   3.16 +/- 0.55  99.992% * 99.2006% (0.80   7.14 259.54) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  19.51 +/- 1.17   0.003% *  0.3349% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  19.53 +/- 1.63   0.004% *  0.1184% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  24.33 +/- 1.80   0.001% *  0.3462% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.82, residual support = 22.9:
          QD    PHE   59 - HG12  ILE  119   2.43 +/- 0.49  99.998% * 98.9870% (0.84   3.82  22.88) = 100.000%  kept
          HD1   TRP   27 - HG12  ILE  119  21.91 +/- 1.21   0.000% *  0.5189% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  20.46 +/- 1.97   0.001% *  0.3024% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.06 +/- 1.63   0.001% *  0.1917% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.96, residual support = 259.5:
          HN    ILE  119 - HG12  ILE  119   2.21 +/- 0.24  99.999% * 99.2819% (0.80   7.96 259.54) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.67 +/- 1.16   0.000% *  0.3008% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  19.46 +/- 1.05   0.000% *  0.1063% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  24.02 +/- 1.17   0.000% *  0.3110% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 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   9.35 +/- 1.26 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.345, support = 3.36, residual support = 5.22:
          QD2   LEU  115 - QD1   ILE  119   2.83 +/- 0.88  77.854% * 48.6141% (0.40  1.00   3.98   6.54) =  79.130%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.18 +/- 0.89  22.085% * 45.1941% (0.15 10.00   0.99   0.21) =  20.868%  kept
        T QD1   LEU  104 - QD1   ILE  119  11.32 +/- 1.12   0.023% *  4.0801% (0.66 10.00   0.02   0.02) =   0.002%
          QG2   ILE   89 - QD1   ILE  119  11.16 +/- 0.96   0.023% *  0.3363% (0.55  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD1   ILE  119  13.83 +/- 1.24   0.007% *  0.9165% (0.15 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  15.55 +/- 1.49   0.004% *  0.5927% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.45 +/- 1.39   0.004% *  0.2663% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.98, residual support = 13.6:
        T HA    GLN  116 - QD1   ILE  119   3.07 +/- 0.73  99.853% * 99.4587% (0.51 10.00   3.98  13.60) = 100.000%  kept
          HA    VAL   70 - QD1   ILE  119  12.60 +/- 1.40   0.067% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD1   ILE  119  14.97 +/- 1.40   0.020% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  13.12 +/- 1.39   0.055% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.91 +/- 1.40   0.003% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  22.04 +/- 1.30   0.002% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.91 +/- 1.26   0.001% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.23 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.889, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   9.00 +/- 1.32  69.067% * 81.6578% (0.96 10.00   0.02   0.02) =  90.860%  kept
        T QD    PHE   72 - QD1   ILE  119  10.29 +/- 1.15  30.933% * 18.3422% (0.21 10.00   0.02   0.02) =   9.140%  kept
    Distance limit 3.28 A violated in 20 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.519, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   6.14 +/- 1.32  83.581% * 23.3518% (0.47   0.02   0.02) =  78.340%  kept
          QE    PHE   72 - QD1   ILE  119   8.78 +/- 1.16  13.065% * 29.0981% (0.59   0.02   0.02) =  15.259%  kept
          HN    ALA   47 - QD1   ILE  119  11.38 +/- 1.08   3.354% * 47.5501% (0.96   0.02   0.02) =   6.401%  kept
    Distance limit 3.33 A violated in 19 structures by 2.66 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.828, support = 1.28, residual support = 14.8:
          HN    HIS  122 - QD1   ILE  119   6.34 +/- 0.30   6.871% * 97.9535% (0.87   1.37  14.22) =  93.017%  kept
          HN    PHE   59 - QD1   ILE  119   4.02 +/- 0.26  93.113% *  0.5424% (0.33   0.02  22.88) =   6.980%  kept
          HH2   TRP   87 - QD1   ILE  119  17.70 +/- 1.47   0.016% *  1.5042% (0.91   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 1 structures by 0.50 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.96, residual support = 259.5:
          HN    ILE  119 - QD1   ILE  119   3.52 +/- 0.23  99.967% * 99.2808% (0.95   6.96 259.54) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  16.23 +/- 1.41   0.015% *  0.2430% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.40 +/- 1.16   0.013% *  0.2430% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.98 +/- 1.31   0.003% *  0.1882% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  21.02 +/- 1.27   0.003% *  0.0449% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.25, residual support = 25.2:
        T QD1   LEU  123 - HA    ALA  120   2.18 +/- 0.28  99.943% * 99.1996% (0.45 10.00   5.25  25.21) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120   9.86 +/- 1.78   0.027% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120   9.82 +/- 1.69   0.023% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  13.93 +/- 1.54   0.002% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  13.12 +/- 1.82   0.004% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.90 +/- 0.62   0.001% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.28 +/- 1.82   0.001% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.506, support = 3.61, residual support = 20.0:
          HN    LEU  123 - HA    ALA  120   2.64 +/- 0.16  57.319% * 44.9683% (0.80   1.0   3.61  25.21) =  52.849%  kept
      O   HN    ALA  120 - HA    ALA  120   2.79 +/- 0.05  42.258% * 54.4164% (0.18  10.0   3.61  14.23) =  47.149%  kept
          HN    ALA  124 - HA    ALA  120   5.99 +/- 0.29   0.423% *  0.3046% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  20.09 +/- 3.08   0.001% *  0.3107% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.32, residual support = 316.1:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.75 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.32 316.12) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.09 +/- 1.23   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  14.76 +/- 1.08   0.005% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  23.00 +/- 0.95   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 2.71, residual support = 7.87:
          HA    THR  118 - HB2   LYS+ 121   2.47 +/- 0.76  94.194% * 34.2949% (0.87   2.52   8.48) =  89.562%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.70 +/- 0.18   5.800% * 64.9122% (0.97   4.29   2.64) =  10.438%  kept
          HA2   GLY  109 - HB2   LYS+ 121  15.67 +/- 1.10   0.003% *  0.1773% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  20.40 +/- 0.94   0.001% *  0.2394% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  18.42 +/- 0.82   0.002% *  0.0871% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  26.11 +/- 1.06   0.000% *  0.2891% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.725, support = 2.61, residual support = 8.42:
        T HA    THR  118 - HB3   LYS+ 121   3.44 +/- 0.31  94.856% * 83.0267% (0.72 10.00   2.60   8.48) =  98.922%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.71 +/- 0.34   5.128% * 16.7310% (0.81  1.00   3.62   2.64) =   1.078%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.30 +/- 0.92   0.009% *  0.0542% (0.47  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  20.64 +/- 1.07   0.002% *  0.0731% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  18.77 +/- 1.17   0.004% *  0.0266% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  26.96 +/- 1.17   0.000% *  0.0884% (0.77  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.41, residual support = 316.1:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.00 +/- 0.40  99.999% * 99.9582% (0.75  10.0   6.41 316.12) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.22 +/- 1.21   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.38, residual support = 50.3:
          HN    HIS  122 - HB3   LYS+ 121   3.83 +/- 0.36  99.930% * 99.5519% (0.75   6.38  50.25) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.29 +/- 0.67   0.063% *  0.1187% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  18.98 +/- 1.58   0.008% *  0.3293% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.18 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.43, residual support = 50.3:
          HN    HIS  122 - HB2   LYS+ 121   3.45 +/- 0.17  98.994% * 99.2402% (0.41   7.43  50.25) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.58 +/- 0.45   1.000% *  0.2217% (0.34   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   LYS+ 121  19.13 +/- 1.42   0.004% *  0.3164% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  22.56 +/- 1.43   0.001% *  0.2217% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.85, residual support = 316.1:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.18 +/- 0.29 100.000% * 99.9061% (0.92  10.0   6.85 316.12) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  22.41 +/- 1.21   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3340 (0.94, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.462, support = 1.18, residual support = 9.55:
          QG2   ILE  119 - HB2   HIS  122   5.05 +/- 1.20  29.686% * 69.8974% (0.53   1.50  14.22) =  66.678%  kept
          QD2   LEU   67 - HB2   HIS  122   6.16 +/- 2.96  41.433% * 15.9108% (0.41   0.44   0.11) =  21.184%  kept
          QD1   LEU   40 - HB2   HIS  122   6.01 +/- 2.06  28.727% * 13.1458% (0.20   0.75   0.36) =  12.135%  kept
          QD2   LEU   71 - HB2   HIS  122  11.60 +/- 1.87   0.131% *  0.4417% (0.25   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   HIS  122  13.84 +/- 1.37   0.024% *  0.6042% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.475, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   8.81 +/- 1.93  23.870% * 20.0916% (0.69   0.02   0.02) =  53.597%  kept
          QD1   LEU   63 - HB2   HIS  122   6.66 +/- 0.87  66.694% *  4.5130% (0.15   0.02   0.02) =  33.637%  kept
          QD2   LEU  115 - HB2   HIS  122  10.06 +/- 1.56   8.196% * 12.0248% (0.41   0.02   0.02) =  11.014%  kept
          QG2   ILE   89 - HB2   HIS  122  16.03 +/- 0.89   0.377% * 16.5597% (0.57   0.02   0.02) =   0.697%  kept
          QG1   VAL   83 - HB2   HIS  122  18.78 +/- 1.55   0.174% * 29.1845% (1.00   0.02   0.02) =   0.569%  kept
          QD1   LEU   73 - HB2   HIS  122  15.06 +/- 1.26   0.544% *  4.5130% (0.15   0.02   0.02) =   0.274%
          QD2   LEU   80 - HB2   HIS  122  18.98 +/- 1.40   0.144% * 13.1134% (0.45   0.02   0.02) =   0.211%
    Distance limit 4.04 A violated in 18 structures by 2.10 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 68.4:
      O   HD2   HIS  122 - HB2   HIS  122   3.61 +/- 0.44  99.806% * 99.8219% (1.00  10.0   3.48  68.40) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  11.58 +/- 1.91   0.125% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  13.92 +/- 0.84   0.039% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  16.13 +/- 2.48   0.029% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.35, residual support = 68.4:
      O   HN    HIS  122 - HB2   HIS  122   3.36 +/- 0.54  99.408% * 99.7165% (0.41  10.0   5.35  68.40) = 100.000%  kept
          QD    PHE   59 - HB2   HIS  122   8.23 +/- 1.14   0.586% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  20.07 +/- 2.09   0.004% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  21.94 +/- 1.47   0.002% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 3.83, residual support = 68.4:
      O   HD2   HIS  122 - HB3   HIS  122   3.08 +/- 0.49  99.865% * 99.8219% (1.00  10.0   3.83  68.40) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.88 +/- 1.73   0.109% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  13.71 +/- 1.14   0.016% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  16.48 +/- 2.44   0.010% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 6.04, residual support = 68.4:
      O   HN    HIS  122 - HB3   HIS  122   2.88 +/- 0.44  99.961% * 99.8567% (0.90  10.0   6.04  68.40) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.56 +/- 1.03   0.037% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  20.08 +/- 2.26   0.002% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.44, support = 1.15, residual support = 9.69:
          QG2   ILE  119 - HB3   HIS  122   4.53 +/- 1.00  53.594% * 44.8137% (0.53  1.00   1.50  14.22) =  67.470%  kept
        T QD1   LEU   40 - HB3   HIS  122   6.54 +/- 1.90  19.598% * 41.8169% (0.20 10.00   0.37   0.36) =  23.023%  kept
          QD2   LEU   67 - HB3   HIS  122   6.60 +/- 2.63  26.648% * 12.6988% (0.41  1.00   0.54   0.11) =   9.506%  kept
          QD2   LEU   71 - HB3   HIS  122  12.14 +/- 1.55   0.114% *  0.2832% (0.25  1.00   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   HIS  122  13.87 +/- 1.60   0.046% *  0.3874% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HG    LEU  123   2.36 +/- 0.75  99.470% * 94.8815% (0.68  1.00   3.14  25.21) =  99.998%  kept
          HA    LYS+ 121 - HG    LEU  123   6.77 +/- 0.41   0.425% *  0.4191% (0.47  1.00   0.02   2.19) =   0.002%
          QB    SER  117 - HG    LEU  123   8.89 +/- 0.73   0.068% *  0.2081% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.82 +/- 1.61   0.018% *  0.5097% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.60 +/- 2.26   0.016% *  0.5472% (0.62  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.32 +/- 1.09   0.000% *  1.5215% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.00 +/- 0.77   0.001% *  0.4663% (0.52  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  24.52 +/- 1.11   0.000% *  0.5293% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.79 +/- 1.20   0.000% *  0.3701% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.74 +/- 0.96   0.000% *  0.5472% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 200.4:
          HN    LEU  123 - HG    LEU  123   3.58 +/- 0.19  99.989% * 99.5303% (0.36   5.52 200.40) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  19.62 +/- 3.48   0.010% *  0.1358% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  25.59 +/- 1.24   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HB3   LEU  123   3.23 +/- 0.73  97.523% * 96.1987% (0.99   3.14  25.21) =  99.989%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.25 +/- 0.68   2.270% *  0.4250% (0.69   0.02   2.19) =   0.010%
          QB    SER  117 - HB3   LEU  123   9.58 +/- 0.76   0.178% *  0.2110% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.77 +/- 1.57   0.019% *  0.5167% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.52 +/- 1.85   0.006% *  0.5548% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.23 +/- 1.29   0.002% *  0.4728% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  26.02 +/- 1.42   0.000% *  0.5366% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.73 +/- 1.52   0.000% *  0.3752% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.70 +/- 1.24   0.000% *  0.5548% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.15 +/- 1.34   0.001% *  0.1543% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.922, support = 5.38, residual support = 174.2:
      O   HN    LEU  123 - HB3   LEU  123   3.18 +/- 0.57  44.709% * 88.3636% (0.98  10.0   5.52 200.40) =  86.060%  kept
          HN    ALA  124 - HB3   LEU  123   3.29 +/- 0.52  55.290% * 11.5745% (0.57   1.0   4.54  12.22) =  13.940%  kept
          HE21  GLN   17 - HB3   LEU  123  20.24 +/- 3.11   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 25.2:
          HA    ALA  120 - HB2   LEU  123   2.39 +/- 0.59  98.701% * 88.7103% (0.99  1.00   3.15  25.21) =  99.945%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.24 +/- 0.52   1.221% *  3.9079% (0.69 10.00   0.02   2.19) =   0.054%
        T HA    LYS+  65 - HB2   LEU  123  14.74 +/- 1.57   0.004% *  4.7520% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.69 +/- 0.47   0.070% *  0.1941% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.61 +/- 1.90   0.003% *  0.5102% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.39 +/- 0.77   0.001% *  0.4348% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  25.47 +/- 1.04   0.000% *  0.4935% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.18 +/- 1.18   0.000% *  0.3451% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.96 +/- 0.99   0.000% *  0.5102% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.50 +/- 1.12   0.000% *  0.1419% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3352 (7.46, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.973, support = 5.84, residual support = 197.1:
      O   HN    LEU  123 - HB2   LEU  123   2.41 +/- 0.46  86.988% * 89.1623% (0.98  10.0   5.87 200.40) =  98.225%  kept
          HN    ALA  124 - HB2   LEU  123   4.00 +/- 0.42  13.011% * 10.7752% (0.57   1.0   4.18  12.22) =   1.775%  kept
          HE21  GLN   17 - HB2   LEU  123  20.27 +/- 3.07   0.001% *  0.0625% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 5.25, residual support = 25.2:
        T HA    ALA  120 - QD1   LEU  123   2.18 +/- 0.28  99.413% * 98.4994% (0.57 10.00   5.25  25.21) = 100.000%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.39 +/- 0.24   0.565% *  0.0344% (0.20  1.00   0.02   2.19) =   0.000%
          HA    LYS+  65 - QD1   LEU  123  10.20 +/- 1.61   0.017% *  0.1646% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.51 +/- 1.88   0.003% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  20.31 +/- 1.35   0.000% *  0.5370% (0.31 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.62 +/- 1.10   0.000% *  0.1330% (0.76  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.67 +/- 0.75   0.001% *  0.0434% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  22.14 +/- 0.75   0.000% *  0.1560% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  19.48 +/- 1.15   0.000% *  0.0593% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  22.40 +/- 1.30   0.000% *  0.0985% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  22.70 +/- 0.84   0.000% *  0.0915% (0.53  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  19.92 +/- 1.24   0.000% *  0.0268% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.81, residual support = 9.23:
      O   HN    ALA  124 - QB    ALA  124   2.26 +/- 0.30  99.122% * 99.6756% (0.57  10.0   1.81   9.23) =  99.998%  kept
          HN    LEU  123 - QB    ALA  124   5.58 +/- 0.35   0.877% *  0.1907% (0.98   1.0   0.02  12.22) =   0.002%
          HE21  GLN   17 - QB    ALA  124  16.93 +/- 2.37   0.001% *  0.1337% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.70 +/- 0.26  98.455% * 99.7393% (0.98  10.0   1.81   9.23) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.69 +/- 0.35   1.490% *  0.0900% (0.80   1.0   0.02  12.22) =   0.001%
          HN    ALA  120 - HA    ALA  124  10.02 +/- 0.36   0.046% *  0.0197% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  20.07 +/- 2.80   0.001% *  0.1125% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  14.69 +/- 1.88   0.006% *  0.0130% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  21.46 +/- 2.11   0.001% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  20.11 +/- 1.48   0.001% *  0.0104% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.31 +/- 1.23   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.44, residual support = 47.8:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  77.709% * 55.0021% (0.98  10.0   4.09  12.22) =  81.097%  kept
      O   HN    LEU  123 - HA    LEU  123   2.82 +/- 0.03  22.173% * 44.9320% (0.80  10.0   5.95 200.40) =  18.903%  kept
          HN    ALA  120 - HA    LEU  123   6.79 +/- 0.21   0.117% *  0.0098% (0.18   1.0   0.02  25.21) =   0.000%
          HE21  GLN   17 - HA    LEU  123  18.10 +/- 2.94   0.001% *  0.0561% (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 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  15.56 +/- 2.11 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.25 A violated in 20 structures by 12.31 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.96, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.31 +/- 0.13  99.999% * 99.7350% (0.69  10.0   5.96  22.41) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  19.32 +/- 1.51   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.51 +/- 1.63   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  18.73 +/- 1.64   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.43 +/- 0.42   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 13.7:
      O   HN    PHE   95 - HA    THR   94   2.17 +/- 0.04 100.000% *100.0000% (0.73  10.0   3.16  13.71) = 100.000%  kept
    Distance limit 2.43 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 = 5.97, residual support = 84.8:
      O   HN    LEU   80 - HB2   LEU   80   2.89 +/- 0.62  99.971% * 99.7811% (1.00  10.0   5.97  84.77) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  15.85 +/- 0.73   0.007% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.49 +/- 1.88   0.007% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.41 +/- 0.92   0.015% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.43, residual support = 84.8:
      O   HN    LEU   80 - HB3   LEU   80   3.42 +/- 0.25  99.959% * 99.7811% (1.00  10.0   6.43  84.77) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  15.91 +/- 0.82   0.011% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  17.03 +/- 1.85   0.008% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.32 +/- 0.94   0.022% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 84.8:
      O   HA    LEU   80 - HB3   LEU   80   2.66 +/- 0.23  98.342% * 99.6901% (0.98  10.0   5.15  84.77) =  99.999%  kept
          HA    THR   23 - HB3   LEU   80   6.32 +/- 1.35   1.255% *  0.0912% (0.90   1.0   0.02   5.60) =   0.001%
          HB    THR   23 - HB3   LEU   80   8.22 +/- 1.46   0.202% *  0.0912% (0.90   1.0   0.02   5.60) =   0.000%
          HA    ASP-  78 - HB3   LEU   80   7.96 +/- 0.63   0.200% *  0.0617% (0.61   1.0   0.02   3.43) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  20.41 +/- 1.40   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.51, support = 4.12, residual support = 84.8:
      O   QD2   LEU   80 - HB3   LEU   80   2.60 +/- 0.38  61.235% * 77.3053% (0.57  10.0  1.00   3.98  84.77) =  86.904%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.85 +/- 0.42  38.591% * 18.4793% (0.14  10.0  1.00   5.01  84.77) =  13.092%  kept
        T QD1   LEU   73 - HB3   LEU   80   7.25 +/- 1.08   0.149% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   80  13.57 +/- 1.66   0.003% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  14.72 +/- 1.66   0.002% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.05 +/- 1.01   0.010% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  17.91 +/- 1.38   0.001% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.20 +/- 1.14   0.009% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.54 +/- 1.33   0.000% *  0.0828% (0.61   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 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.68, residual support = 83.9:
      O   HA    LEU   80 - HG    LEU   80   3.38 +/- 0.41  76.318% * 95.3172% (0.63  10.0   4.72  84.77) =  98.909%  kept
          HA    THR   23 - HG    LEU   80   4.92 +/- 1.57  20.568% *  3.8904% (0.58   1.0   0.89   5.60) =   1.088%  kept
          HB    THR   23 - HG    LEU   80   6.87 +/- 1.60   2.083% *  0.0872% (0.58   1.0   0.02   5.60) =   0.002%
          HA    ASP-  78 - HG    LEU   80   8.78 +/- 0.83   0.386% *  0.0590% (0.39   1.0   0.02   3.43) =   0.000%
          HA    THR   23 - HG    LEU   73   9.48 +/- 1.20   0.212% *  0.0346% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  10.09 +/- 1.12   0.140% *  0.0346% (0.23   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.88 +/- 0.69   0.089% *  0.0473% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  11.10 +/- 1.48   0.106% *  0.0378% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.20 +/- 0.73   0.030% *  0.0297% (0.20   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.15 +/- 0.49   0.029% *  0.0297% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  15.08 +/- 1.52   0.014% *  0.0234% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  15.98 +/- 0.88   0.009% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.01 +/- 1.67   0.002% *  0.0629% (0.42   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.40 +/- 1.62   0.002% *  0.0717% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  18.46 +/- 1.06   0.004% *  0.0250% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  21.54 +/- 1.22   0.002% *  0.0656% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  22.17 +/- 1.25   0.001% *  0.0656% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.44 +/- 0.67   0.003% *  0.0201% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  21.05 +/- 1.85   0.002% *  0.0214% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  23.81 +/- 1.21   0.001% *  0.0444% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.179, support = 5.66, residual support = 167.9:
          HN    LEU   73 - HG    LEU   73   2.96 +/- 0.76  50.069% * 48.7590% (0.20   5.69 172.94) =  83.760%  kept
          HN    ILE   19 - HG12  ILE   19   3.23 +/- 0.73  42.805% *  9.1507% (0.03   6.16 171.55) =  13.439%  kept
          HN    VAL   42 - HG    LEU   40   5.48 +/- 1.13   2.075% * 39.0723% (0.37   2.40   1.31) =   2.782%  kept
          HN    LEU   73 - HG12  ILE   19   5.42 +/- 1.38   2.667% *  0.1470% (0.17   0.02   4.43) =   0.013%
          HN    ILE   19 - HG    LEU   73   5.03 +/- 0.85   1.886% *  0.0346% (0.04   0.02   4.43) =   0.002%
          HN    VAL   42 - HG    LEU   73   7.71 +/- 1.07   0.246% *  0.1715% (0.20   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   8.98 +/- 1.87   0.166% *  0.1470% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - HG    LEU   80  10.00 +/- 1.38   0.029% *  0.4321% (0.49   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40  10.43 +/- 1.12   0.025% *  0.3251% (0.37   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  12.04 +/- 0.77   0.008% *  0.3553% (0.41   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  13.80 +/- 1.70   0.004% *  0.4321% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.06 +/- 1.25   0.009% *  0.0872% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.89 +/- 1.01   0.010% *  0.0656% (0.08   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.98 +/- 1.69   0.000% *  0.4722% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  18.14 +/- 1.16   0.001% *  0.1874% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.08 +/- 1.74   0.000% *  0.1607% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 172.0:
      O T HA    LYS+  99 - HB3   LYS+  99   2.53 +/- 0.23  96.120% * 97.7927% (0.76  10.0 10.00   5.81 172.02) =  99.997%  kept
          HA    LEU   40 - HB3   LYS+  99   4.44 +/- 0.54   3.845% *  0.0828% (0.65   1.0  1.00   0.02  12.70) =   0.003%
          HA    ASN   35 - HB3   LYS+  99  10.81 +/- 0.90   0.025% *  0.1148% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  14.42 +/- 2.17   0.006% *  0.1254% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  21.74 +/- 1.49   0.000% *  1.1812% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  20.62 +/- 1.21   0.000% *  0.5261% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.23 +/- 1.08   0.002% *  0.0574% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.26 +/- 0.99   0.000% *  0.0623% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.39 +/- 1.53   0.000% *  0.0574% (0.45   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 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.69, residual support = 172.0:
      O   HN    LYS+  99 - HB3   LYS+  99   3.17 +/- 0.21  99.305% * 99.4797% (0.31  10.0   3.69 172.02) =  99.999%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.90 +/- 3.69   0.659% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   LYS+  99  12.26 +/- 0.90   0.034% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  20.61 +/- 1.22   0.002% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.96 +/- 2.14   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.49, residual support = 17.0:
        T QD1   LEU  104 - HB3   LYS+  99   2.24 +/- 0.47  99.994% * 96.9474% (0.41 10.00   1.49  17.00) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.85 +/- 1.04   0.002% *  2.6448% (0.84 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  16.02 +/- 1.39   0.002% *  0.2747% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  16.07 +/- 1.29   0.002% *  0.0627% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  17.48 +/- 1.42   0.001% *  0.0705% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.98, residual support = 12.7:
        T QD2   LEU   40 - HB3   LYS+  99   2.67 +/- 0.75  99.092% * 99.6022% (0.76 10.00   1.98  12.70) =  99.999%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.14 +/- 0.44   0.808% *  0.0800% (0.61  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB3   LYS+  99  10.27 +/- 2.40   0.074% *  0.0958% (0.73  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  15.48 +/- 1.08   0.005% *  0.1248% (0.95  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.32 +/- 1.28   0.019% *  0.0329% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.37 +/- 0.86   0.002% *  0.0642% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.48, residual support = 172.0:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.65 +/- 0.17  99.933% * 99.4593% (0.97  10.0   5.48 172.02) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.29 +/- 1.02   0.033% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  13.20 +/- 2.27   0.017% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  14.52 +/- 1.13   0.005% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.21 +/- 0.84   0.005% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  17.98 +/- 1.73   0.002% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  15.13 +/- 0.79   0.003% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.24 +/- 1.21   0.002% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.51 +/- 2.53   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.93 +/- 1.26   0.000% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 172.0:
      O T HB2   LYS+  99 - HA    LYS+  99   2.94 +/- 0.19  99.969% * 99.7492% (0.99  10.0 10.00   7.00 172.02) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  11.80 +/- 0.55   0.026% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  16.14 +/- 1.42   0.004% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.63 +/- 0.85   0.000% *  0.0986% (0.98   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 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.571, support = 5.15, residual support = 180.3:
      O T QD    LYS+  99 - HG3   LYS+  99   2.26 +/- 0.12  58.794% * 20.0954% (0.34  10.0 10.00   5.27 172.02) =  45.269%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.90 +/- 0.26  15.809% * 58.3907% (0.99  10.0  1.00   4.99 172.02) =  35.369%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.62 +/- 0.19  25.322% * 19.9563% (0.34  10.0 10.00   5.16 214.85) =  19.362%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.24 +/- 1.69   0.035% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.97 +/- 1.33   0.025% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.94 +/- 1.02   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  19.43 +/- 1.28   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.82 +/- 1.26   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.34 +/- 1.16   0.009% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.73 +/- 1.66   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  18.37 +/- 1.21   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  18.22 +/- 1.38   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.63 +/- 1.63   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  15.06 +/- 1.29   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  17.87 +/- 0.88   0.000% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.86 +/- 1.30   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.77 +/- 1.01   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.18 +/- 1.36   0.000% *  0.0051% (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 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 172.0:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.47 +/- 0.17  99.848% * 97.9462% (0.99  10.0 10.00   6.44 172.02) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89   8.48 +/- 0.84   0.091% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.21 +/- 1.28   0.035% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  14.73 +/- 0.64   0.003% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.75 +/- 1.28   0.020% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  18.43 +/- 1.59   0.001% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  18.02 +/- 1.55   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.77 +/- 1.01   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  26.25 +/- 1.07   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  18.08 +/- 1.55   0.001% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.47 +/- 1.34   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.82 +/- 1.11   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.23, residual support = 115.0:
    * O   HA    GLN  116 - HG3   GLN  116   3.52 +/- 0.19  99.992% * 99.5202% (1.00  10.0   5.23 115.03) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.77 +/- 1.46   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  22.18 +/- 1.44   0.002% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.05 +/- 1.66   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  23.97 +/- 1.35   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  30.43 +/- 1.64   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  32.27 +/- 1.11   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  29.57 +/- 1.27   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  33.25 +/- 1.24   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 115.0:
      O   HB2   GLN  116 - HG3   GLN  116   2.35 +/- 0.09  99.979% * 99.6757% (0.98  10.0   5.76 115.03) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  10.82 +/- 2.11   0.020% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.49 +/- 1.41   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  24.31 +/- 1.91   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.81 +/- 1.28   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  30.78 +/- 1.19   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.79, residual support = 102.5:
          QD2   LEU  115 - HG3   GLN  116   3.53 +/- 0.43  99.493% * 98.7661% (0.97   6.79 102.48) =  99.999%  kept
          QD1   LEU   63 - HG3   GLN  116   9.97 +/- 0.93   0.284% *  0.2070% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116  10.67 +/- 1.03   0.202% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  16.36 +/- 1.25   0.015% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  21.56 +/- 1.27   0.003% *  0.2070% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.96 +/- 1.64   0.002% *  0.2953% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  22.71 +/- 1.85   0.002% *  0.1827% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.48, residual support = 115.0:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   5.48 115.03) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.35 +/- 1.12   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  35.20 +/- 1.32   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 = 4.08, residual support = 115.0:
      O   HE21  GLN  116 - HG3   GLN  116   3.24 +/- 0.49  98.510% * 99.6819% (0.69  10.0   4.08 115.03) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   7.05 +/- 0.57   1.336% *  0.0448% (0.31   1.0   0.02   0.02) =   0.001%
          HN    ALA   57 - HG3   GLN  116  10.79 +/- 1.62   0.153% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  24.21 +/- 2.43   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.62 +/- 1.38   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.37, residual support = 115.0:
          HN    GLN  116 - HG3   GLN  116   3.67 +/- 0.41  94.908% * 98.9600% (0.69   7.37 115.03) =  99.988%  kept
          HN    THR  118 - HG3   GLN  116   6.96 +/- 0.28   2.358% *  0.3610% (0.92   0.02   0.02) =   0.009%
          HN    GLU- 114 - HG3   GLN  116   6.83 +/- 0.57   2.556% *  0.0975% (0.25   0.02   0.18) =   0.003%
          HN    PHE   60 - HG3   GLN  116  11.32 +/- 1.50   0.178% *  0.3911% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  28.17 +/- 1.80   0.001% *  0.1904% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.59, residual support = 176.6:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.741% * 88.2996% (1.00  10.0 10.00   6.60 172.02) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.741% *  8.9120% (0.10  10.0 10.00   6.44 221.86) =   9.168%  kept
          QB    ALA   88 - HG12  ILE   89   4.62 +/- 0.39   0.170% *  0.0247% (0.28   1.0  1.00   0.02   7.50) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 1.30   0.004% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.51 +/- 0.67   0.241% *  0.0063% (0.07   1.0  1.00   0.02  12.65) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.94 +/- 1.59   0.082% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   8.29 +/- 1.33   0.009% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.59 +/- 1.20   0.003% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.96 +/- 0.23   0.003% *  0.0221% (0.25   1.0  1.00   0.02  17.15) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  15.73 +/- 2.48   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.58 +/- 3.03   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  11.48 +/- 0.82   0.001% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  15.12 +/- 1.26   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.87 +/- 2.65   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.90 +/- 1.10   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  12.05 +/- 1.36   0.001% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  16.34 +/- 1.20   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.63 +/- 1.08   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  15.07 +/- 1.22   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  15.85 +/- 0.86   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.38 +/- 0.94   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  19.69 +/- 1.90   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.80 +/- 1.45   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.10 +/- 1.10   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  20.16 +/- 1.32   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.69 +/- 1.27   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  20.02 +/- 1.23   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  18.57 +/- 3.24   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.55 +/- 1.47   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.12 +/- 0.89   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.38 +/- 1.36   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.40 +/- 1.35   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  22.76 +/- 1.73   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.61 +/- 0.81   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.64 +/- 1.26   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.94 +/- 1.39   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  22.17 +/- 1.15   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.15 +/- 2.69   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.83 +/- 1.03   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1737
      with multiple volume contributions     :    493
      eliminated by violation filter         :    108
 
    Peaks:
      selected                               :   2699
      without assignment                     :    139
      with assignment                        :   2560
      with unique assignment                 :   2017
      with multiple assignment               :    543
      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             :    955
 
    Atoms with eliminated volume contribution > 2.5:
    QG2   VAL   18       2.9
    HA    HIS   22       3.9
    QB    LYS+  33       3.1
    QD2   LEU   40       4.0
    HB    VAL   42       3.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       3.0
    QD    PHE   60       3.7
    QB    ALA   64       3.9
    HN    LYS+  65       6.0
    HG    LEU   67       2.5
    HZ    PHE   72       3.6
    HA    THR  118       4.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 72.3:
        T HA    PHE   60 - QD    PHE   60   2.79 +/- 0.43  99.543% * 98.3426% (0.87 10.00   3.94  72.28) =  99.999%  kept
        T QB    SER   48 - QD    PHE   60   9.79 +/- 1.28   0.099% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  12.41 +/- 1.15   0.019% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   7.98 +/- 0.90   0.281% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.40 +/- 1.25   0.033% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.40 +/- 1.27   0.008% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.41 +/- 1.20   0.016% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 70.4:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.672% * 99.2427% (0.69  10.0   1.00  70.42) =  99.999%  kept
          HN    TRP   87 - HZ3   TRP   87   6.62 +/- 0.46   0.308% *  0.1753% (0.61   1.0   0.02  70.42) =   0.001%
          HN    ALA   91 - HZ3   TRP   87  13.30 +/- 1.95   0.019% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  20.55 +/- 3.18   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  21.20 +/- 2.61   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  19.47 +/- 0.95   0.000% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  20.50 +/- 2.56 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.98 A violated in 20 structures by 15.52 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.04, residual support = 5.15:
          QB    ALA   20 - HE1   HIS   22   3.83 +/- 0.28  99.982% * 92.9707% (0.76   1.04   5.15) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  19.91 +/- 1.83   0.007% *  2.2185% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  19.44 +/- 0.53   0.006% *  0.5848% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.31 +/- 1.05   0.002% *  1.2339% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  23.37 +/- 2.54   0.003% *  0.6521% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  28.49 +/- 1.79   0.001% *  2.3400% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.35, support = 4.69, residual support = 41.0:
          HN    ASN   28 - HD1   TRP   27   3.81 +/- 0.49  91.715% * 35.3915% (0.25   5.07  47.40) =  86.392%  kept
          HN    GLU-  25 - HD1   TRP   27   5.76 +/- 0.76   7.990% * 63.9731% (0.99   2.30   0.31) =  13.604%  kept
          HN    ASP-  44 - HD1   TRP   27  10.61 +/- 0.78   0.291% *  0.5490% (0.98   0.02   0.02) =   0.004%
          HN    ALA  110 - HD1   TRP   27  21.52 +/- 1.67   0.004% *  0.0864% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.99, residual support = 100.0:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.99 100.04) = 100.000%  kept
    Distance limit 3.80 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 = 100.0:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.996% * 99.9797% (0.89  10.0   1.53 100.04) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  13.86 +/- 0.81   0.004% *  0.0203% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 3.8, residual support = 100.0:
          HA    TRP   27 - HE3   TRP   27   2.40 +/- 0.50  99.991% * 98.4052% (0.96   3.80 100.04) = 100.000%  kept
          HA    VAL  107 - HE3   TRP   27  18.44 +/- 0.79   0.001% *  0.4950% (0.91   0.02   0.02) =   0.000%
          HA    ALA   91 - HE3   TRP   27  19.50 +/- 0.74   0.001% *  0.5314% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.67 +/- 1.43   0.004% *  0.0770% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  16.46 +/- 0.79   0.002% *  0.0805% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  23.70 +/- 1.19   0.000% *  0.2012% (0.37   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  22.03 +/- 0.67   0.000% *  0.0827% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  22.06 +/- 1.37   0.000% *  0.0827% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.99 +/- 0.76   0.000% *  0.0313% (0.06   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  18.65 +/- 2.03   0.001% *  0.0129% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 100.0:
      O   HB3   TRP   27 - HE3   TRP   27   3.00 +/- 0.23  99.884% * 98.0783% (0.17  10.0   4.50 100.04) = 100.000%  kept
          QE    LYS+ 102 - HE3   TRP   27  14.93 +/- 2.06   0.012% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  14.70 +/- 0.77   0.008% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  11.53 +/- 1.00   0.040% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  15.93 +/- 0.69   0.005% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  14.07 +/- 0.84   0.010% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.25 +/- 1.45   0.032% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.19 +/- 1.26   0.003% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.15 +/- 1.16   0.002% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  16.69 +/- 0.89   0.004% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.338, support = 3.1, residual support = 26.2:
          QD2   LEU   73 - HE3   TRP   27   2.61 +/- 0.82  83.942% * 31.6973% (0.28   3.35  28.73) =  87.612%  kept
          QG1   VAL   43 - HE3   TRP   27   5.26 +/- 0.76   4.903% * 49.5641% (0.99   1.46   1.27) =   8.002%  kept
          HG    LEU   31 - HE3   TRP   27   4.66 +/- 0.56   8.381% * 15.7856% (0.41   1.13  20.75) =   4.356%  kept
          QG1   VAL   41 - HE3   TRP   27   6.55 +/- 0.61   0.781% *  0.6430% (0.94   0.02   0.02) =   0.017%
          QD1   ILE   19 - HE3   TRP   27   6.94 +/- 0.52   0.491% *  0.3308% (0.48   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LEU   67   6.08 +/- 0.92   1.171% *  0.0976% (0.14   0.02   0.02) =   0.004%
          QG2   VAL   18 - HE3   TRP   27   8.60 +/- 0.81   0.146% *  0.6274% (0.91   0.02   0.02) =   0.003%
          QG2   THR   46 - HE3   TRP   27  11.15 +/- 1.15   0.032% *  0.5677% (0.83   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    LEU   67  10.60 +/- 0.67   0.034% *  0.1058% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  10.56 +/- 0.61   0.032% *  0.1000% (0.15   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  11.97 +/- 0.94   0.020% *  0.0883% (0.13   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  11.25 +/- 0.69   0.022% *  0.0515% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  14.40 +/- 1.27   0.005% *  0.2318% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.59 +/- 1.20   0.029% *  0.0294% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.37 +/- 1.56   0.012% *  0.0361% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  17.57 +/- 1.33   0.002% *  0.0435% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.372, support = 6.27, residual support = 28.7:
          QD1   LEU   73 - HE3   TRP   27   1.88 +/- 0.25  99.527% * 96.1889% (0.37   6.27  28.73) =  99.998%  kept
          QD2   LEU   80 - HE3   TRP   27   5.90 +/- 1.57   0.207% *  0.6243% (0.76   0.02   4.84) =   0.001%
          QG1   VAL   83 - HE3   TRP   27   6.19 +/- 0.85   0.096% *  0.7326% (0.89   0.02   2.63) =   0.001%
          QD1   LEU   63 - HN    LEU   67   6.17 +/- 0.60   0.154% *  0.0477% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27  11.11 +/- 0.75   0.004% *  0.2271% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  11.81 +/- 0.70   0.003% *  0.3066% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.57 +/- 1.05   0.001% *  0.7728% (0.94   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.81 +/- 1.25   0.002% *  0.1202% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  11.43 +/- 0.92   0.003% *  0.0923% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  18.41 +/- 1.37   0.000% *  0.5932% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.04 +/- 0.73   0.002% *  0.0477% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  15.96 +/- 1.30   0.000% *  0.0971% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  16.73 +/- 1.34   0.000% *  0.1140% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  15.05 +/- 0.74   0.001% *  0.0353% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.718, support = 0.522, residual support = 1.17:
          QG2   VAL   75 - HE3   TRP   27   4.90 +/- 2.18  79.582% * 96.1177% (0.72   0.52   1.17) =  99.808%  kept
          QG2   VAL   42 - HN    LEU   67   6.64 +/- 1.01  14.998% *  0.4458% (0.09   0.02   0.02) =   0.087%
          QG2   VAL   42 - HE3   TRP   27   9.52 +/- 0.77   2.139% *  2.8648% (0.56   0.02   0.02) =   0.080%
          QG2   VAL   75 - HN    LEU   67  10.75 +/- 1.07   3.281% *  0.5717% (0.11   0.02   0.02) =   0.024%
    Distance limit 4.26 A violated in 4 structures by 0.86 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.47, residual support = 34.4:
      O T HB2   HIS   22 - HD2   HIS   22   3.68 +/- 0.27  99.989% * 99.9216% (0.92  10.0 10.00   2.47  34.42) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  17.63 +/- 1.61   0.010% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  26.14 +/- 1.72   0.001% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 57 (3.25, 7.36, 120.68 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.08, residual support = 34.4:
      O T HB3   HIS   22 - HD2   HIS   22   3.63 +/- 0.35  99.998% * 99.8217% (0.45  10.0 10.00   3.08  34.42) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  24.05 +/- 2.99   0.002% *  0.1783% (0.80   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 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.896, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22   7.42 +/- 1.98  84.905% * 29.7119% (0.92   0.02   0.02) =  91.554%  kept
          HB3   ASP-  78 - HD2   HIS   22  11.71 +/- 1.81   8.201% * 19.5221% (0.61   0.02   0.02) =   5.810%  kept
          QB    CYS   50 - HD2   HIS   22  15.55 +/- 1.89   1.481% * 28.8658% (0.90   0.02   0.02) =   1.552%  kept
          HB2   PHE   72 - HD2   HIS   22  12.58 +/- 1.21   5.164% *  4.9662% (0.15   0.02   0.02) =   0.931%  kept
          HB3   ASN   69 - HD2   HIS   22  20.99 +/- 1.38   0.248% * 16.9340% (0.53   0.02   0.02) =   0.153%
    Distance limit 5.02 A violated in 14 structures by 2.30 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.06, residual support = 5.15:
        T QB    ALA   20 - HD2   HIS   22   2.98 +/- 0.65  99.977% * 98.9678% (0.28 10.00   2.06   5.15) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  18.24 +/- 1.57   0.006% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  15.41 +/- 1.59   0.015% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.04 +/- 1.21   0.002% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  26.38 +/- 2.12   0.001% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  28.20 +/- 2.08   0.000% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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  19.19 +/- 2.71 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.97 A violated in 20 structures by 14.22 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.92, residual support = 5.86:
          HA    CYS   21 - HD2   HIS   22   3.71 +/- 0.37  99.938% * 97.1668% (0.95   2.92   5.86) = 100.000%  kept
          HA    CYS   50 - HD2   HIS   22  17.75 +/- 1.87   0.013% *  0.6644% (0.95   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  18.68 +/- 2.02   0.010% *  0.7024% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  15.54 +/- 1.87   0.032% *  0.1953% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.52 +/- 1.32   0.002% *  0.4544% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  25.27 +/- 2.41   0.001% *  0.6778% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  22.07 +/- 1.80   0.003% *  0.1390% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.989, support = 3.22, residual support = 47.1:
          HA    ASN   28 - HD1   TRP   27   4.62 +/- 0.33  93.212% * 79.3407% (1.00   3.23  47.40) =  98.758%  kept
          HA    THR   26 - HD1   TRP   27   7.54 +/- 0.55   5.079% * 18.2593% (0.28   2.67  22.20) =   1.238%  kept
          HA    LYS+  81 - HD1   TRP   27   9.67 +/- 0.63   1.378% *  0.0975% (0.20   0.02   0.02) =   0.002%
          HA    ALA   34 - HD1   TRP   27  13.57 +/- 0.50   0.154% *  0.4548% (0.92   0.02   0.02) =   0.001%
          HA1   GLY  101 - HD1   TRP   27  15.38 +/- 2.56   0.121% *  0.3765% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HD1   TRP   27  21.55 +/- 1.06   0.010% *  0.4883% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  23.64 +/- 1.61   0.006% *  0.3384% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  17.63 +/- 0.57   0.031% *  0.0667% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.32 +/- 1.42   0.005% *  0.2988% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  28.63 +/- 1.55   0.002% *  0.2789% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.11 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.86, residual support = 25.7:
          HA    VAL   24 - HD1   TRP   27   2.91 +/- 0.67  99.986% * 99.4970% (1.00   4.86  25.68) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  16.84 +/- 0.72   0.006% *  0.2818% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  16.34 +/- 0.89   0.007% *  0.0812% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  20.69 +/- 1.61   0.002% *  0.1399% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 100.0:
      O T HB2   TRP   27 - HD1   TRP   27   2.63 +/- 0.04  99.953% * 99.7544% (0.65  10.0 10.00   3.66 100.04) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27   9.93 +/- 1.25   0.046% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.54 +/- 1.43   0.001% *  0.0998% (0.65   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 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 100.0:
      O T HB3   TRP   27 - HD1   TRP   27   3.57 +/- 0.14  99.955% * 99.6316% (0.73  10.0 10.00   4.09 100.04) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.84 +/- 2.09   0.021% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.99 +/- 1.02   0.013% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.45 +/- 1.13   0.011% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (1.08, 7.19, 127.61 ppm):
    6 chemical-shift based assignments, quality = 0.762, support = 2.99, residual support = 25.7:
        T QG2   VAL   24 - HD1   TRP   27   2.35 +/- 0.45  85.231% * 95.9788% (0.76 10.00   3.00  25.68) =  99.448%  kept
          QG1   VAL   24 - HD1   TRP   27   3.93 +/- 0.94  14.766% *  3.0767% (0.31  1.00   1.59  25.68) =   0.552%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.74 +/- 1.16   0.001% *  0.8124% (0.65 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  17.93 +/- 1.52   0.001% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  27.27 +/- 1.40   0.000% *  0.0280% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  28.31 +/- 1.50   0.000% *  0.0280% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.818, support = 2.69, residual support = 4.12:
          QG1   VAL   83 - HD1   TRP   27   2.97 +/- 0.80  61.136% * 34.7338% (0.80   2.66   2.63) =  59.645%  kept
          QD2   LEU   80 - HD1   TRP   27   3.75 +/- 1.35  35.399% * 38.0431% (0.87   2.69   4.84) =  37.826%  kept
          QD1   LEU   73 - HD1   TRP   27   5.06 +/- 0.65   3.409% * 26.4038% (0.49   3.33  28.73) =   2.528%  kept
          QG2   ILE   89 - HD1   TRP   27  10.08 +/- 1.04   0.048% *  0.0646% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  14.14 +/- 1.22   0.005% *  0.1588% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  16.01 +/- 1.28   0.003% *  0.3234% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  20.02 +/- 1.32   0.001% *  0.2725% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.885, support = 1.12, residual support = 10.3:
          QG2   VAL   83 - HD1   TRP   27   3.88 +/- 1.24  68.292% * 38.3856% (1.00   0.75   2.63) =  57.896%  kept
          QD2   LEU   31 - HD1   TRP   27   4.90 +/- 0.67  31.404% * 60.6964% (0.73   1.63  20.75) =  42.097%  kept
          QD1   ILE   89 - HD1   TRP   27   9.67 +/- 1.01   0.304% *  0.9180% (0.90   0.02   0.02) =   0.006%
    Distance limit 4.51 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 = 1.23, residual support = 100.0:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.967% * 99.7536% (0.28  10.0 10.00   1.23 100.04) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  10.00 +/- 1.16   0.033% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.99, residual support = 100.0:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   1.99 100.04) = 100.000%  kept
    Distance limit 5.02 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 = 100.0:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.945% * 99.6479% (1.00  10.0   1.53 100.04) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   9.74 +/- 0.63   0.031% *  0.0789% (0.61   1.0   0.02   1.57) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.63 +/- 1.66   0.016% *  0.0842% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  13.70 +/- 1.08   0.004% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  13.86 +/- 0.81   0.004% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  21.30 +/- 1.03   0.000% *  0.1276% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 0.87, support = 0.592, residual support = 4.82:
        T QG1   VAL   43 - HH2   TRP   27   2.92 +/- 0.58  65.526% * 53.4744% (0.92 10.00   0.31   1.27) =  83.896%  kept
          HG    LEU   31 - HH2   TRP   27   4.31 +/- 1.00  21.568% * 20.9190% (0.65  1.00   1.74  20.75) =  10.803%  kept
          QD2   LEU   73 - HH2   TRP   27   4.75 +/- 1.36   8.987% * 24.4784% (0.49  1.00   2.70  28.73) =   5.267%  kept
          QG1   VAL   41 - HH2   TRP   27   5.18 +/- 0.90   3.759% *  0.3712% (1.00  1.00   0.02   0.02) =   0.033%
          QG2   VAL   18 - HH2   TRP   27  10.09 +/- 1.03   0.043% *  0.2701% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.31 +/- 0.82   0.076% *  0.1034% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  11.93 +/- 1.12   0.015% *  0.2256% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.31 +/- 1.42   0.024% *  0.0651% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  15.74 +/- 1.31   0.003% *  0.0928% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.742, support = 1.43, residual support = 12.8:
        T QG1   VAL   43 - HZ3   TRP   27   3.82 +/- 0.61  16.385% * 73.9415% (0.92 10.00   0.75   1.27) =  55.557%  kept
          QD2   LEU   73 - HZ3   TRP   27   2.99 +/- 1.27  64.667% * 12.2802% (0.49  1.00   2.36  28.73) =  36.416%  kept
          HG    LEU   31 - HZ3   TRP   27   4.29 +/- 0.92  13.244% * 13.1305% (0.65  1.00   1.90  20.75) =   7.974%  kept
          QG1   VAL   41 - HZ3   TRP   27   4.83 +/- 0.75   5.214% *  0.2131% (1.00  1.00   0.02   0.02) =   0.051%
          QG2   VAL   18 - HZ3   TRP   27   8.60 +/- 0.86   0.140% *  0.1551% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE   19 - HZ3   TRP   27   7.39 +/- 0.82   0.314% *  0.0594% (0.28  1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HZ3   TRP   27  11.53 +/- 1.21   0.022% *  0.1296% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.39 +/- 1.29   0.012% *  0.0374% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  16.05 +/- 1.18   0.002% *  0.0533% (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 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.82, residual support = 28.7:
        T QD1   LEU   73 - HZ3   TRP   27   3.18 +/- 0.61  49.104% * 98.4015% (0.90 10.00   3.82  28.73) =  99.968%  kept
          QG2   VAL   41 - HZ3   TRP   27   3.37 +/- 0.79  43.861% *  0.0305% (0.28  1.00   0.02   0.02) =   0.028%
          QD2   LEU   98 - HZ3   TRP   27   4.87 +/- 0.92   5.770% *  0.0169% (0.15  1.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HZ3   TRP   27  10.71 +/- 0.75   0.035% *  0.9840% (0.90 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ3   TRP   27   7.50 +/- 1.63   0.544% *  0.0577% (0.53  1.00   0.02   4.84) =   0.001%
          QD1   LEU   80 - HZ3   TRP   27   8.13 +/- 1.22   0.622% *  0.0169% (0.15  1.00   0.02   4.84) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  11.56 +/- 1.06   0.024% *  0.3387% (0.31 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  10.64 +/- 0.83   0.039% *  0.0916% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  17.39 +/- 1.34   0.002% *  0.0621% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 2.93, residual support = 20.7:
        T QD2   LEU   31 - HZ3   TRP   27   2.43 +/- 0.26  99.292% * 99.7565% (0.76 10.00   2.93  20.75) =  99.999%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.82 +/- 1.21   0.676% *  0.1302% (1.00  1.00   0.02   2.63) =   0.001%
          QD1   ILE   89 - HZ3   TRP   27  10.00 +/- 1.02   0.031% *  0.1132% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 3.21, residual support = 20.7:
          QD2   LEU   31 - HH2   TRP   27   2.73 +/- 0.38  95.365% * 98.5047% (0.76   3.22  20.75) =  99.961%  kept
          QG2   VAL   83 - HH2   TRP   27   6.24 +/- 1.43   4.488% *  0.7999% (1.00   0.02   2.63) =   0.038%
          QD1   ILE   89 - HH2   TRP   27   8.77 +/- 0.97   0.147% *  0.6954% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.982, support = 3.19, residual support = 27.9:
          QD1   LEU   73 - HH2   TRP   27   4.90 +/- 0.57  17.508% * 76.7923% (1.00   3.28  28.73) =  96.609%  kept
          QD2   LEU   80 - HH2   TRP   27   7.99 +/- 1.64   1.517% * 19.9763% (0.76   1.11   4.84) =   2.177%  kept
          QG1   VAL   83 - HH2   TRP   27   6.61 +/- 1.33   6.746% *  1.7908% (0.15   0.49   2.63) =   0.868%  kept
          QG2   VAL   41 - HH2   TRP   27   3.48 +/- 1.01  73.868% *  0.0636% (0.14   0.02   0.02) =   0.337%
          QD1   LEU   63 - HH2   TRP   27  10.70 +/- 1.11   0.110% *  0.4688% (1.00   0.02   0.02) =   0.004%
          QD1   LEU  104 - HH2   TRP   27  10.67 +/- 1.23   0.133% *  0.2472% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   63 - HH2   TRP   27  10.71 +/- 1.24   0.113% *  0.2849% (0.61   0.02   0.02) =   0.002%
          QD2   LEU  115 - HH2   TRP   27  17.08 +/- 1.28   0.007% *  0.3762% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 1 structures by 0.08 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.23, residual support = 100.0:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.23 100.04) = 100.000%  kept
    Distance limit 3.80 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 = 0.938, support = 1.42, residual support = 21.4:
          HZ2   TRP   87 - HZ2   TRP   27   4.20 +/- 3.60  83.418% * 24.7481% (0.98   0.75   5.97) =  62.825%  kept
          HD21  ASN   28 - HZ2   TRP   27   5.85 +/- 0.86  16.395% * 74.5036% (0.87   2.55  47.40) =  37.172%  kept
          QE    PHE   60 - HZ2   TRP   27  11.87 +/- 1.35   0.167% *  0.4625% (0.69   0.02   0.02) =   0.002%
          HN    LEU   63 - HZ2   TRP   27  16.38 +/- 1.36   0.017% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.96 +/- 1.34   0.004% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.01 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.38, residual support = 100.0:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.38 100.04) = 100.000%  kept
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 5.97:
          HE1   TRP   87 - HZ2   TRP   27   5.80 +/- 2.39 100.000% *100.0000% (0.92   2.00   5.97) = 100.000%  kept
    Distance limit 4.69 A violated in 7 structures by 1.24 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.601, support = 3.11, residual support = 15.3:
        T QD2   LEU   31 - HZ2   TRP   27   3.31 +/- 0.34  61.364% * 62.0614% (0.49 10.00   4.06  20.75) =  72.208%  kept
        T QG2   VAL   43 - HZ2   TRP   27   4.04 +/- 1.34  38.636% * 37.9386% (0.90 10.00   0.66   1.27) =  27.792%  kept
    Distance limit 4.22 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 = 0.899, support = 2.0, residual support = 9.98:
        T QD1   ILE   89 - QD    PHE   45   3.45 +/- 0.93  81.463% * 90.1126% (0.90 10.00   2.00  10.18) =  97.618%  kept
          QG2   VAL   83 - QD    PHE   45   4.80 +/- 1.08  18.245% *  9.8144% (1.00  1.00   1.95   1.47) =   2.381%  kept
          QD2   LEU   31 - QD    PHE   45   8.81 +/- 0.44   0.292% *  0.0730% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.97, support = 2.68, residual support = 7.45:
          QD1   ILE   89 - QE    PHE   45   3.16 +/- 1.27  60.907% * 58.1045% (0.97   2.96  10.18) =  68.637%  kept
          QG2   VAL   83 - QE    PHE   45   3.57 +/- 1.28  38.825% * 41.6485% (0.98   2.09   1.47) =  31.362%  kept
          QD2   LEU   31 - QE    PHE   45   7.49 +/- 0.59   0.268% *  0.2470% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.11, residual support = 18.4:
        T QG1   VAL   75 - QD    PHE   45   2.32 +/- 0.27  99.964% * 99.9034% (1.00 10.00   3.11  18.41) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.90 +/- 1.33   0.036% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 2.14, residual support = 18.4:
        T HB    VAL   75 - QD    PHE   45   3.84 +/- 0.37  96.804% * 99.7392% (0.99 10.00   2.14  18.41) =  99.998%  kept
          QD1   LEU   67 - QD    PHE   45   9.18 +/- 1.69   1.040% *  0.0610% (0.61  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   9.25 +/- 0.84   0.690% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    PHE   45  10.16 +/- 0.63   0.359% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD    PHE   45   9.20 +/- 0.87   0.598% *  0.0378% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  10.15 +/- 1.05   0.399% *  0.0343% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.50 +/- 0.96   0.109% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.634, support = 2.73, residual support = 9.74:
        T QG2   THR   77 - QD    PHE   45   2.74 +/- 0.95  87.771% * 76.1631% (0.65 10.00   2.68   9.46) =  97.034%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.53 +/- 0.11   8.764% * 23.2995% (0.20 10.00   4.41  18.87) =   2.964%  kept
          HB3   LEU   80 - QD    PHE   45   7.01 +/- 1.34   2.948% *  0.0442% (0.38  1.00   0.02   0.02) =   0.002%
          QB    ALA   88 - QD    PHE   45   7.85 +/- 0.58   0.261% *  0.1136% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45   8.28 +/- 1.30   0.225% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  13.20 +/- 0.64   0.016% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  14.04 +/- 1.78   0.011% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  15.83 +/- 0.71   0.004% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.25 +/- 0.71   0.001% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.746, support = 0.75, residual support = 25.2:
          QG2   THR   94 - QD    PHE   45   3.59 +/- 0.67  75.448% * 67.1270% (0.80   0.75  27.13) =  88.884%  kept
          HG12  ILE   89 - QD    PHE   45   4.70 +/- 0.70  24.474% * 25.8744% (0.31   0.75  10.18) =  11.114%  kept
          HB3   LEU   71 - QD    PHE   45  14.39 +/- 0.67   0.021% *  2.2157% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.83 +/- 1.13   0.016% *  1.7084% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD    PHE   45  14.09 +/- 1.26   0.031% *  0.8390% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    PHE   45  16.35 +/- 0.96   0.010% *  2.2355% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.43, residual support = 18.4:
        T QG1   VAL   75 - QE    PHE   45   2.99 +/- 0.38  99.950% * 99.9191% (0.90 10.00   2.43  18.41) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.28 +/- 1.37   0.050% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.592, support = 0.705, residual support = 9.57:
          HB    ILE   89 - QE    PHE   45   3.96 +/- 1.09  20.256% * 94.4406% (0.61   0.75  10.18) =  93.904%  kept
          HB    VAL   43 - QE    PHE   45   2.67 +/- 0.94  79.566% *  1.5584% (0.38   0.02   0.02) =   6.087%  kept
          QD    LYS+  81 - QE    PHE   45   9.58 +/- 0.93   0.120% *  1.2816% (0.31   0.02   0.02) =   0.008%
          QG1   ILE   56 - QE    PHE   45  10.39 +/- 1.19   0.042% *  0.6407% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  12.99 +/- 1.18   0.009% *  0.9244% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QE    PHE   45  13.47 +/- 1.07   0.007% *  1.1545% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 9.13:
          HB3   MET   96 - QE    PHE   45   3.09 +/- 1.33  98.026% * 93.6217% (0.45   2.00   9.13) =  99.972%  kept
          HB    VAL   18 - QE    PHE   45  11.18 +/- 1.22   1.370% *  1.4345% (0.69   0.02   0.02) =   0.021%
          HB2   LEU   67 - QE    PHE   45  11.70 +/- 1.25   0.452% *  0.8585% (0.41   0.02   0.02) =   0.004%
          HB2   LEU   40 - QE    PHE   45  13.56 +/- 0.71   0.087% *  1.7443% (0.84   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QE    PHE   45  16.61 +/- 0.89   0.042% *  1.9277% (0.92   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QE    PHE   45  19.56 +/- 1.19   0.023% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 2 structures by 0.20 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.231, support = 1.88, residual support = 8.98:
        T HB2   MET   96 - QE    PHE   45   3.81 +/- 1.32  87.018% * 80.0194% (0.22 10.00   1.90   9.13) =  98.231%  kept
          HB3   ASP-  76 - QE    PHE   45   8.43 +/- 1.31   7.405% * 15.9855% (0.73  1.00   1.16   0.48) =   1.670%  kept
          QG    GLN   90 - QE    PHE   45   7.04 +/- 1.29   3.094% *  1.7816% (0.22  1.00   0.42   0.02) =   0.078%
        T HB3   PHE   72 - QE    PHE   45   8.30 +/- 1.03   2.028% *  0.6633% (0.18 10.00   0.02   0.02) =   0.019%
          HG3   MET   92 - QE    PHE   45  11.68 +/- 1.03   0.159% *  0.3655% (0.97  1.00   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   45  11.30 +/- 1.45   0.123% *  0.3496% (0.92  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   45  14.25 +/- 1.24   0.074% *  0.3397% (0.90  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    PHE   45  12.66 +/- 1.15   0.069% *  0.1993% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.35 +/- 0.82   0.013% *  0.2450% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.54 +/- 1.41   0.017% *  0.0513% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.4:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.910% * 99.8696% (0.53  10.0 10.00   1.00  80.36) = 100.000%  kept
          HZ3   TRP   27 - QE    PHE   45   7.36 +/- 0.88   0.090% *  0.1304% (0.69   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 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 80.4:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.995% * 99.6976% (0.65  10.0   3.51  80.36) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  12.14 +/- 0.92   0.004% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  18.27 +/- 1.18   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.03 +/- 1.96   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.13:
          HB3   MET   96 - QD    PHE   45   4.77 +/- 0.72  97.326% * 96.5078% (0.80   2.00   9.13) =  99.988%  kept
          HB    VAL   18 - QD    PHE   45  10.83 +/- 1.13   1.482% *  0.4111% (0.34   0.02   0.02) =   0.006%
          HB2   LEU   40 - QD    PHE   45  14.57 +/- 0.44   0.155% *  1.2053% (1.00   0.02   0.02) =   0.002%
          HB2   LEU   67 - QD    PHE   45  11.48 +/- 1.15   0.832% *  0.1860% (0.15   0.02   0.02) =   0.002%
          HB3   ARG+  54 - QD    PHE   45  14.49 +/- 0.83   0.175% *  0.7311% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD    PHE   45  19.87 +/- 1.10   0.028% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  28.02 +/- 2.18   0.003% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 1 structures by 0.20 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.877, support = 1.94, residual support = 7.6:
          HB2   MET   96 - QD    PHE   45   5.64 +/- 0.76  75.111% * 52.3003% (0.87   2.00   9.13) =  82.337%  kept
          HB3   ASP-  76 - QD    PHE   45   7.41 +/- 0.67  18.419% * 45.6598% (0.92   1.64   0.48) =  17.628%  kept
          HG3   MET   92 - QD    PHE   45  10.03 +/- 0.98   3.229% *  0.2057% (0.34   0.02   0.02) =   0.014%
          HB2   ASP- 105 - QD    PHE   45  11.55 +/- 1.06   1.062% *  0.4378% (0.73   0.02   0.02) =   0.010%
          HB    VAL   70 - QD    PHE   45  11.27 +/- 0.58   1.169% *  0.2703% (0.45   0.02   0.02) =   0.007%
          QG    GLN   17 - QD    PHE   45  13.30 +/- 1.34   0.541% *  0.2263% (0.38   0.02   0.02) =   0.003%
          HG2   GLU- 100 - QD    PHE   45  17.83 +/- 0.67   0.074% *  0.5819% (0.97   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  15.32 +/- 0.95   0.208% *  0.1676% (0.28   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QD    PHE   45  15.48 +/- 0.87   0.187% *  0.1503% (0.25   0.02   0.02) =   0.001%
    Distance limit 5.23 A violated in 1 structures by 0.23 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 80.4:
      O T HB3   PHE   45 - QD    PHE   45   2.40 +/- 0.18  99.800% * 99.5701% (0.80  10.0 10.00   4.93  80.36) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   8.61 +/- 0.83   0.078% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   7.97 +/- 1.54   0.110% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  11.64 +/- 0.68   0.008% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  14.51 +/- 1.55   0.003% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  16.72 +/- 0.86   0.001% *  0.1200% (0.97   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 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.22, residual support = 80.4:
      O T HB2   PHE   45 - QD    PHE   45   2.59 +/- 0.16  99.955% * 99.8423% (0.97  10.0 10.00   4.22  80.36) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45  10.30 +/- 1.23   0.040% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  14.05 +/- 0.74   0.004% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.34 +/- 0.60  97.910% * 93.8952% (0.69   2.96  27.13) =  99.988%  kept
          QB    SER   85 - QD    PHE   45   8.48 +/- 0.53   0.655% *  0.8745% (0.95   0.02   0.02) =   0.006%
          QB    SER   48 - QD    PHE   45   9.05 +/- 0.78   0.419% *  0.7403% (0.80   0.02   0.02) =   0.003%
          HA    ALA   88 - QD    PHE   45   8.40 +/- 0.72   0.767% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD    PHE   45  13.01 +/- 0.78   0.045% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    PHE   45  11.04 +/- 1.09   0.105% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  14.14 +/- 0.72   0.023% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  16.36 +/- 0.92   0.011% *  0.8922% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  13.33 +/- 0.73   0.035% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  15.80 +/- 0.85   0.013% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.53 +/- 1.07   0.008% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.56 +/- 0.55   0.010% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.34, support = 4.27, residual support = 18.7:
          HA    ASP-  44 - QD    PHE   45   2.79 +/- 0.56  86.523% * 81.6660% (0.34   4.35  18.87) =  97.691%  kept
          HB    THR   77 - QD    PHE   45   4.69 +/- 1.46  12.757% * 13.0678% (0.28   0.85   9.46) =   2.305%  kept
          HA    ASP-  86 - QD    PHE   45   9.65 +/- 0.60   0.117% *  1.0790% (0.98   0.02   0.02) =   0.002%
          HA    SER   85 - QD    PHE   45   8.24 +/- 0.60   0.264% *  0.3061% (0.28   0.02   0.02) =   0.001%
          HA    TRP   87 - QD    PHE   45   8.22 +/- 0.54   0.299% *  0.1699% (0.15   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   45  13.79 +/- 0.86   0.008% *  0.9195% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.21 +/- 0.83   0.029% *  0.2179% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.14 +/- 1.06   0.002% *  1.0984% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.06 +/- 1.53   0.000% *  1.0624% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  27.82 +/- 1.63   0.000% *  0.4132% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.93, residual support = 80.4:
          HA    PHE   45 - QD    PHE   45   3.01 +/- 0.42  99.290% * 96.7710% (0.25   4.93  80.36) =  99.996%  kept
          HA    MET   92 - QD    PHE   45   8.34 +/- 1.43   0.637% *  0.3927% (0.25   0.02   0.02) =   0.003%
          HA    VAL   41 - QD    PHE   45  10.58 +/- 0.26   0.065% *  1.2612% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  14.96 +/- 0.77   0.009% *  1.5751% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.57, residual support = 78.0:
          HN    PHE   45 - QD    PHE   45   2.07 +/- 0.50  95.094% * 56.0553% (0.45   5.61  80.36) =  96.170%  kept
          HN    ASP-  44 - QD    PHE   45   4.11 +/- 0.30   4.888% * 43.4220% (0.45   4.35  18.87) =   3.830%  kept
          HN    ALA  110 - QD    PHE   45  10.54 +/- 0.99   0.010% *  0.3059% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  13.13 +/- 0.94   0.007% *  0.2168% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.4:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.948% * 99.7606% (0.98  10.0   1.00  80.36) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45   8.07 +/- 0.81   0.051% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  18.14 +/- 1.65   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.615, support = 4.42, residual support = 52.6:
          HN    TRP   49 - HD1   TRP   49   2.13 +/- 0.65  74.357% * 34.3719% (0.38   4.95  85.29) =  60.380%  kept
          HN    CYS   50 - HD1   TRP   49   3.11 +/- 1.26  25.642% * 65.4038% (0.98   3.61   2.75) =  39.620%  kept
          HN    VAL   83 - HD1   TRP   49  14.99 +/- 1.75   0.001% *  0.2243% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.33, residual support = 85.3:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.33  85.29) = 100.000%  kept
    Distance limit 3.75 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 = 85.3:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 99.8040% (0.41  10.0   1.00  85.29) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  18.44 +/- 1.37   0.001% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  25.82 +/- 2.41   0.000% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 85.3:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  85.29) = 100.000%  kept
    Distance limit 4.66 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 = 85.3:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  85.29) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.73 +/- 1.64   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 110 (0.08, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.89, support = 1.31, residual support = 7.11:
          QD1   ILE   89 - HZ    PHE   45   3.86 +/- 1.75  57.796% * 56.3428% (0.84   1.50  10.18) =  64.761%  kept
          QG2   VAL   83 - HZ    PHE   45   4.31 +/- 1.49  41.253% * 42.9370% (0.99   0.96   1.47) =  35.226%  kept
          QD2   LEU   31 - HZ    PHE   45   7.78 +/- 0.90   0.950% *  0.7202% (0.80   0.02   0.02) =   0.014%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.72, residual support = 85.3:
      O T HB2   TRP   49 - HD1   TRP   49   3.14 +/- 0.24  99.885% * 99.5547% (0.65  10.0 10.00   4.72  85.29) = 100.000%  kept
          HA    ALA   84 - HD1   TRP   49  12.70 +/- 1.47   0.030% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  13.45 +/- 2.16   0.036% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  13.36 +/- 1.66   0.030% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  14.07 +/- 1.34   0.016% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  21.11 +/- 1.44   0.001% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  21.76 +/- 1.47   0.001% *  0.0871% (0.57   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 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.72, residual support = 85.3:
      O T HB3   TRP   49 - HD1   TRP   49   3.87 +/- 0.06  99.976% * 99.9191% (0.90  10.0 10.00   4.72  85.29) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  15.97 +/- 1.43   0.024% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.68, residual support = 14.9:
          QB    ALA   47 - HD1   TRP   49   2.97 +/- 1.20  99.960% * 98.6356% (0.84   2.68  14.90) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.19 +/- 1.09   0.013% *  0.6393% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  15.23 +/- 1.18   0.018% *  0.3947% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  18.02 +/- 1.82   0.009% *  0.3304% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.865, support = 0.748, residual support = 3.48:
          HB3   PRO   52 - HZ2   TRP   49   4.76 +/- 0.80  84.300% * 69.1350% (0.87  1.00   0.75   3.49) =  99.738%  kept
          HB3   GLN   90 - HZ2   TRP   49   9.19 +/- 2.47  13.096% *  0.9529% (0.45  1.00   0.02   0.02) =   0.214%
          HG2   ARG+  54 - HZ2   TRP   49   9.85 +/- 1.04   1.006% *  1.4599% (0.69  1.00   0.02   0.02) =   0.025%
          QB    LYS+  81 - HZ2   TRP   49  11.89 +/- 2.18   1.478% *  0.7977% (0.38  1.00   0.02   0.02) =   0.020%
        T HG    LEU  123 - HZ2   TRP   49  25.59 +/- 1.24   0.003% * 18.4360% (0.87 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  15.19 +/- 1.01   0.076% *  0.7250% (0.34  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HZ2   TRP   49  21.29 +/- 0.90   0.009% *  1.3749% (0.65  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.09 +/- 1.22   0.008% *  1.2891% (0.61  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.21 +/- 1.14   0.005% *  1.5433% (0.73  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  20.46 +/- 0.97   0.012% *  0.5909% (0.28  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.36 +/- 1.13   0.004% *  0.9529% (0.45  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  27.67 +/- 1.28   0.002% *  1.6243% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  27.02 +/- 1.51   0.002% *  1.1182% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 3 structures by 0.31 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.9:
          QB    ALA   47 - HZ2   TRP   49   4.38 +/- 0.33  99.862% * 98.0051% (0.69   2.03  14.90) =  99.999%  kept
          QG1   VAL   42 - HZ2   TRP   49  16.32 +/- 0.94   0.041% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  16.53 +/- 0.64   0.037% *  0.8509% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HZ2   TRP   49  15.66 +/- 1.61   0.060% *  0.3498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.04 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.348, support = 0.741, residual support = 3.44:
          HG2   PRO   52 - HH2   TRP   49   4.45 +/- 0.66  83.980% * 73.0242% (0.34   0.75   3.49) =  98.726%  kept
          HG2   MET   92 - HH2   TRP   49   6.56 +/- 1.39  15.846% *  4.9520% (0.87   0.02   0.02) =   1.263%  kept
          QG    GLU- 114 - HH2   TRP   49  14.68 +/- 1.84   0.093% *  4.5712% (0.80   0.02   0.02) =   0.007%
          HB2   GLU-  79 - HH2   TRP   49  17.37 +/- 2.49   0.049% *  4.1454% (0.73   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HH2   TRP   49  17.74 +/- 1.58   0.028% *  0.9998% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  29.30 +/- 1.90   0.001% *  1.1298% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  37.25 +/- 2.03   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  30.59 +/- 1.80   0.001% *  1.4235% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  37.96 +/- 3.60   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  30.50 +/- 2.68   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   4.61 +/- 0.43  92.529% * 92.8146% (0.87   2.00   3.49) =  99.954%  kept
          HB3   GLN   90 - HH2   TRP   49  10.61 +/- 2.68   5.700% *  0.4797% (0.45   0.02   0.02) =   0.032%
          HG2   ARG+  54 - HH2   TRP   49   9.67 +/- 1.09   1.387% *  0.7350% (0.69   0.02   0.02) =   0.012%
          QB    LYS+  81 - HH2   TRP   49  13.47 +/- 2.06   0.279% *  0.4016% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  16.42 +/- 1.44   0.063% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.57 +/- 1.43   0.008% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.75 +/- 1.83   0.007% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.77 +/- 1.64   0.005% *  0.7770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  21.49 +/- 1.44   0.011% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  26.38 +/- 1.68   0.003% *  0.9281% (0.87   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  26.18 +/- 1.71   0.003% *  0.4797% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  29.01 +/- 1.67   0.002% *  0.8177% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  28.74 +/- 1.78   0.002% *  0.5629% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.13 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.26, residual support = 20.2:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  99.240% * 99.2903% (0.25  10.0   2.26  20.21) =  99.999%  kept
          HD3   PRO   93 - QD    PHE   55   6.79 +/- 1.66   0.586% *  0.1358% (0.34   1.0   0.02   0.02) =   0.001%
          HD2   ARG+  54 - QD    PHE   55   6.68 +/- 0.68   0.133% *  0.2415% (0.61   1.0   0.02   3.13) =   0.000%
          HB3   CYS   53 - QD    PHE   55   7.97 +/- 0.46   0.041% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  18.04 +/- 1.33   0.000% *  0.1229% (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 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.844, support = 2.03, residual support = 19.1:
          HA    PHE   55 - QD    PHE   55   2.98 +/- 0.22  92.106% * 58.8227% (0.84   2.08  20.21) =  94.579%  kept
          HA    ALA  110 - QD    PHE   55   5.91 +/- 2.13   7.768% * 39.9708% (1.00   1.18   0.11) =   5.420%  kept
          HA    VAL  107 - QD    PHE   55  10.51 +/- 1.28   0.068% *  0.2314% (0.34   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  11.58 +/- 1.74   0.047% *  0.1511% (0.22   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  14.36 +/- 1.53   0.010% *  0.6548% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.44 +/- 0.93   0.003% *  0.1692% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.498, support = 2.03, residual support = 4.69:
          HB3   LEU  115 - QD    PHE   55   5.84 +/- 1.45  30.520% * 60.5331% (0.31  1.00   3.11   7.58) =  61.238%  kept
          QB    ALA  110 - QD    PHE   55   4.73 +/- 2.01  67.977% * 17.1299% (0.80  1.00   0.34   0.11) =  38.598%  kept
        T QG    LYS+  66 - QD    PHE   55  13.61 +/- 1.40   0.303% * 11.9443% (0.95 10.00   0.02   0.02) =   0.120%
          QB    ALA   61 - QD    PHE   55  10.50 +/- 0.77   0.833% *  1.2186% (0.97  1.00   0.02   0.02) =   0.034%
        T HG    LEU   67 - QD    PHE   55  17.97 +/- 1.86   0.064% *  2.8111% (0.22 10.00   0.02   0.02) =   0.006%
          HB3   LEU   67 - QD    PHE   55  17.96 +/- 1.12   0.034% *  1.2627% (1.00  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   55  15.00 +/- 1.30   0.166% *  0.2499% (0.20  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD    PHE   55  20.65 +/- 1.87   0.018% *  1.0547% (0.84  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  21.41 +/- 1.28   0.010% *  1.0111% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  19.70 +/- 1.77   0.021% *  0.3897% (0.31  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  23.74 +/- 0.97   0.008% *  0.9169% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  18.50 +/- 1.06   0.030% *  0.2211% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.81 +/- 1.07   0.013% *  0.3897% (0.31  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.46 +/- 1.97   0.003% *  0.8673% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 2 structures by 0.25 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.14, residual support = 7.58:
          QD2   LEU  115 - QD    PHE   55   4.39 +/- 1.26  97.439% * 88.8070% (0.87  1.00   2.14   7.58) =  99.971%  kept
          QD1   LEU   63 - QD    PHE   55   9.48 +/- 1.38   1.647% *  0.9563% (1.00  1.00   0.02   0.02) =   0.018%
        T QD2   LEU   80 - QD    PHE   55  17.90 +/- 1.15   0.056% *  8.0052% (0.84 10.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - QD    PHE   55  11.14 +/- 1.28   0.682% *  0.5042% (0.53  1.00   0.02   0.02) =   0.004%
          QD1   LEU   73 - QD    PHE   55  18.29 +/- 1.03   0.058% *  0.9563% (1.00  1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - QD    PHE   55  17.39 +/- 0.88   0.069% *  0.5813% (0.61  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   55  17.96 +/- 1.52   0.050% *  0.1897% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 3 structures by 0.40 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.989, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   5.66 +/- 2.31  99.444% * 72.5341% (0.99   0.02   0.02) =  99.789%  kept
          HB3   TRP   49 - QE    PHE   95  15.36 +/- 2.61   0.556% * 27.4659% (0.38   0.02   0.02) =   0.211%
    Distance limit 4.52 A violated in 9 structures by 1.55 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 = 0.331, support = 2.48, residual support = 37.5:
          HB    VAL  107 - QE    PHE   95   4.71 +/- 0.90  70.095% * 28.0048% (0.28  1.00   3.00  46.21) =  80.593%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.58 +/- 1.69   6.454% * 51.7102% (0.57 10.00   0.27   0.02) =  13.701%  kept
          HB3   PHE   45 - QE    PHE   95   6.73 +/- 1.86  17.325% *  5.4293% (0.69  1.00   0.24   1.89) =   3.862%  kept
          HG3   MET   96 - QE    PHE   95   8.88 +/- 1.39   3.984% *  8.9286% (0.20  1.00   1.34  11.99) =   1.461%  kept
        T QE    LYS+ 112 - QE    PHE   95  10.14 +/- 2.26   1.999% *  4.6199% (0.69 10.00   0.02   0.02) =   0.379%
          HB3   ASP-  86 - QE    PHE   95  14.69 +/- 1.21   0.129% *  0.6362% (0.95  1.00   0.02   0.02) =   0.003%
          HG2   GLU-  29 - QE    PHE   95  20.55 +/- 1.46   0.015% *  0.6711% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.03 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.648, support = 0.397, residual support = 0.254:
          QG1   ILE   56 - QE    PHE   95   4.82 +/- 2.22  65.078% * 26.4787% (0.53   0.38   0.32) =  71.807%  kept
          QD    LYS+ 106 - QE    PHE   95   8.48 +/- 1.39  10.619% * 60.7349% (1.00   0.46   0.10) =  26.876%  kept
          HG3   PRO   93 - QE    PHE   95   6.91 +/- 2.64  14.117% *  0.9934% (0.38   0.02   0.02) =   0.584%  kept
          QD    LYS+  99 - QE    PHE   95  12.67 +/- 2.47   2.164% *  2.6468% (1.00   0.02   0.02) =   0.239%
          HB3   LYS+  99 - QE    PHE   95  12.66 +/- 2.88   3.225% *  1.0881% (0.41   0.02   0.02) =   0.146%
          HB3   MET   92 - QE    PHE   95   8.91 +/- 2.17   1.437% *  2.1194% (0.80   0.02   0.02) =   0.127%
          HB2   LEU   73 - QE    PHE   95  12.23 +/- 1.30   1.167% *  2.4433% (0.92   0.02   0.02) =   0.119%
          HB2   LEU  123 - QE    PHE   95  12.63 +/- 1.44   1.310% *  1.0881% (0.41   0.02   0.02) =   0.059%
          HD2   LYS+ 111 - QE    PHE   95  11.49 +/- 1.84   0.407% *  1.8181% (0.69   0.02   0.02) =   0.031%
          QD    LYS+ 102 - QE    PHE   95  14.69 +/- 2.28   0.475% *  0.5893% (0.22   0.02   0.02) =   0.012%
    Distance limit 4.91 A violated in 5 structures by 0.44 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.683, support = 2.68, residual support = 44.7:
          QG2   VAL  107 - QE    PHE   95   3.84 +/- 1.43  81.948% * 65.0750% (0.69  1.00   2.75  46.21) =  95.991%  kept
          QG2   THR   94 - QE    PHE   95   6.25 +/- 0.63   7.733% * 17.3081% (0.34  1.00   1.47  13.71) =   2.409%  kept
          HG13  ILE  103 - QE    PHE   95  10.11 +/- 2.22   5.459% * 15.9842% (1.00  1.00   0.46   0.02) =   1.571%  kept
          HG2   LYS+ 121 - QE    PHE   95  10.71 +/- 2.33   3.232% *  0.3093% (0.45  1.00   0.02   0.02) =   0.018%
          HB3   LYS+ 112 - QE    PHE   95  10.81 +/- 2.33   1.380% *  0.2589% (0.38  1.00   0.02   0.02) =   0.006%
        T QB    ALA   20 - QE    PHE   95  12.73 +/- 1.33   0.247% *  1.0644% (0.15 10.00   0.02   0.02) =   0.005%
    Distance limit 4.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.926, support = 1.41, residual support = 4.46:
          QD1   LEU   63 - QE    PHE   95   3.68 +/- 1.50  58.810% * 43.4185% (1.00  1.00   1.48   4.98) =  73.268%  kept
          QD2   LEU  115 - QE    PHE   95   6.17 +/- 1.78  15.913% * 34.6552% (0.87  1.00   1.36   1.71) =  15.824%  kept
          QD2   LEU   63 - QE    PHE   95   4.76 +/- 1.90  23.768% * 15.9550% (0.53  1.00   1.03   4.98) =  10.881%  kept
        T QD2   LEU   80 - QE    PHE   95  11.73 +/- 1.30   0.088% *  4.9115% (0.84 10.00   0.02   0.02) =   0.012%
          QD1   LEU  104 - QE    PHE   95  10.08 +/- 2.19   1.124% *  0.3566% (0.61  1.00   0.02   0.02) =   0.012%
          QD1   LEU   73 - QE    PHE   95  10.62 +/- 1.23   0.156% *  0.5867% (1.00  1.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - QE    PHE   95  11.57 +/- 1.37   0.141% *  0.1164% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 1 structures by 0.06 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.346, support = 1.09, residual support = 1.67:
        T QD1   LEU  115 - QE    PHE   95   5.68 +/- 2.58  51.564% * 95.9876% (0.34 10.00   1.11   1.71) =  97.749%  kept
          QB    ALA   64 - QE    PHE   95   6.49 +/- 1.44  28.627% *  3.9117% (0.57  1.00   0.27   0.02) =   2.212%  kept
          QG1   VAL   75 - QE    PHE   95   6.09 +/- 1.09  19.809% *  0.1007% (0.20  1.00   0.02   0.02) =   0.039%
    Distance limit 4.55 A violated in 6 structures by 0.64 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.14, residual support = 72.3:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.111% * 99.6265% (0.84  10.0   1.14  72.28) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   4.95 +/- 0.29   0.885% *  0.0324% (0.15   1.0   0.02  12.14) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  12.77 +/- 0.79   0.003% *  0.1885% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.36 +/- 0.73   0.001% *  0.1526% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.86, residual support = 72.3:
      O T HB3   PHE   60 - QD    PHE   60   2.62 +/- 0.16  99.687% * 99.7227% (0.73  10.0 10.00   3.86  72.28) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   7.59 +/- 1.18   0.255% *  0.0241% (0.18   1.0  1.00   0.02   0.10) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.13 +/- 1.68   0.019% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  11.25 +/- 1.24   0.022% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.90 +/- 0.68   0.012% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  14.23 +/- 0.68   0.004% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  20.35 +/- 1.30   0.000% *  0.0943% (0.69   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 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.924, support = 0.0199, residual support = 1.7:
          QD1   ILE   56 - QD    PHE   60   6.11 +/- 1.01  77.397% * 20.0170% (0.99  1.00   0.02   2.16) =  78.493%  kept
          QD2   LEU   73 - QD    PHE   60   8.21 +/- 1.21  18.745% * 16.8689% (0.84  1.00   0.02   0.02) =  16.021%  kept
        T QG1   VAL   41 - QD    PHE   60  11.19 +/- 0.76   2.548% * 35.3689% (0.18 10.00   0.02   0.02) =   4.566%  kept
          HG3   LYS+ 121 - QD    PHE   60  13.78 +/- 1.47   0.809% * 13.8726% (0.69  1.00   0.02   0.02) =   0.568%  kept
          HG    LEU   31 - QD    PHE   60  14.57 +/- 1.24   0.501% * 13.8726% (0.69  1.00   0.02   0.02) =   0.352%
    Distance limit 4.12 A violated in 18 structures by 1.76 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.75, residual support = 3.43:
          QB    ALA   64 - QD    PHE   60   4.15 +/- 0.60 100.000% *100.0000% (0.95   1.75   3.43) = 100.000%  kept
    Distance limit 4.05 A violated in 1 structures by 0.25 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   3.13 +/- 0.82  99.820% * 99.3286% (0.97   4.10  62.68) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97  10.26 +/- 0.97   0.151% *  0.4842% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  13.49 +/- 1.04   0.028% *  0.0993% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  24.57 +/- 1.66   0.001% *  0.0879% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.658, support = 0.815, residual support = 1.24:
          HA    THR  118 - QD    PHE   97   5.79 +/- 1.52  72.780% * 37.1462% (0.61   0.75   1.71) =  66.783%  kept
          HA    ILE  119 - QD    PHE   97   7.37 +/- 1.97  22.693% * 59.1196% (0.76   0.95   0.29) =  33.140%  kept
          HA    VAL   75 - QD    PHE   97  12.10 +/- 0.86   1.392% *  0.8592% (0.53   0.02   0.02) =   0.030%
          HA    ALA   84 - QD    PHE   97  13.57 +/- 1.10   1.092% *  0.7949% (0.49   0.02   0.02) =   0.021%
          HA2   GLY  109 - QD    PHE   97  13.16 +/- 1.28   1.429% *  0.5041% (0.31   0.02   0.02) =   0.018%
          HD3   PRO   58 - QD    PHE   97  13.69 +/- 1.39   0.567% *  0.4541% (0.28   0.02   0.02) =   0.006%
          HB2   TRP   49 - QD    PHE   97  21.55 +/- 0.99   0.048% *  1.1218% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.40 A violated in 10 structures by 1.25 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   2.53 +/- 0.15  98.128% * 99.6874% (0.90  10.0 10.00   2.44  62.68) =  99.998%  kept
          QE    LYS+ 106 - QD    PHE   97   5.88 +/- 1.11   1.438% *  0.1051% (0.95   1.0  1.00   0.02   8.68) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.93 +/- 1.06   0.384% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97  10.17 +/- 1.54   0.046% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  14.03 +/- 0.95   0.004% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.48 +/- 0.17  99.966% * 99.7112% (1.00  10.0 10.00   2.74  62.68) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.81 +/- 1.21   0.019% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.20 +/- 1.12   0.009% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.34 +/- 1.51   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  16.27 +/- 1.03   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (1.10, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.814, support = 0.994, residual support = 2.34:
          QG1   VAL  107 - QD    PHE   97   5.50 +/- 0.89  90.027% * 61.6086% (0.84   0.99   2.45) =  95.065%  kept
          HG13  ILE  119 - QD    PHE   97   9.06 +/- 1.89   8.234% * 34.7623% (0.41   1.13   0.29) =   4.906%  kept
          HB3   LEU   31 - QD    PHE   97  12.67 +/- 0.87   1.094% *  0.6700% (0.45   0.02   0.02) =   0.013%
          QG1   VAL   24 - QD    PHE   97  15.08 +/- 1.30   0.426% *  1.4944% (1.00   0.02   0.02) =   0.011%
          HD3   LYS+ 112 - QD    PHE   97  15.53 +/- 1.61   0.218% *  1.4648% (0.98   0.02   0.02) =   0.005%
    Distance limit 4.14 A violated in 14 structures by 1.28 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.691, support = 3.22, residual support = 17.5:
          HB2   LEU  104 - QD    PHE   97   4.05 +/- 1.04  87.243% * 64.9973% (0.69   3.30  18.01) =  96.962%  kept
          QD1   ILE  119 - QD    PHE   97   8.43 +/- 1.48   4.668% * 27.5706% (0.95   1.02   0.29) =   2.200%  kept
          QG2   VAL  108 - QD    PHE   97   7.48 +/- 1.14   6.857% *  7.0841% (0.53   0.47   0.02) =   0.831%  kept
          HB    VAL   75 - QD    PHE   97   9.77 +/- 0.95   1.232% *  0.3480% (0.61   0.02   0.02) =   0.007%
    Distance limit 4.30 A violated in 0 structures by 0.18 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.201, support = 1.19, residual support = 1.68:
          QG2   THR  118 - QD    PHE   97   4.14 +/- 1.45  60.430% * 97.2345% (0.20   1.21   1.71) =  98.172%  kept
          QG2   VAL   70 - QD    PHE   97   4.47 +/- 0.94  39.570% *  2.7655% (0.34   0.02   0.02) =   1.828%  kept
    Distance limit 4.45 A violated in 1 structures by 0.13 A, kept.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.993, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.00 +/- 1.07  95.093% * 85.0969% (1.00   0.02   0.02) =  99.104%  kept
          QB    ALA   47 - QD    PHE   97  13.53 +/- 0.89   4.907% * 14.9031% (0.18   0.02   0.02) =   0.896%  kept
    Distance limit 4.80 A violated in 20 structures by 3.13 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.74, residual support = 28.1:
          HN    LEU  115 - QD    PHE   59   5.61 +/- 0.81  90.545% * 99.0000% (0.97   2.75  28.07) =  99.969%  kept
          HN    PHE   97 - QD    PHE   59  10.51 +/- 1.03   2.431% *  0.7212% (0.97   0.02   0.02) =   0.020%
          HN    ASP- 113 - QD    PHE   59   8.84 +/- 0.69   7.013% *  0.1479% (0.20   0.02   0.02) =   0.012%
          HN    ALA   12 - QD    PHE   59  26.68 +/- 2.37   0.011% *  0.1309% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 6 structures by 0.70 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 2.95, residual support = 57.2:
          HA    PHE   59 - QD    PHE   59   2.80 +/- 0.68  85.992% * 78.1195% (0.61   3.04  58.62) =  96.203%  kept
          HA    ILE   56 - QD    PHE   59   4.73 +/- 1.08  13.754% * 19.2661% (0.61   0.75  19.87) =   3.795%  kept
          HA    ASP- 113 - QD    PHE   59   8.71 +/- 0.63   0.180% *  0.8452% (1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QD    PHE   59  10.05 +/- 0.55   0.066% *  0.4123% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.51 +/- 0.99   0.005% *  0.6783% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.73 +/- 1.00   0.003% *  0.1307% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  21.45 +/- 0.88   0.001% *  0.5480% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.994, support = 2.21, residual support = 22.0:
        T HA    ILE  119 - QD    PHE   59   4.20 +/- 0.43  89.942% * 56.0624% (1.00 10.00   2.25  22.88) =  92.544%  kept
        T HA    THR  118 - QD    PHE   59   6.32 +/- 0.43   9.278% * 43.7841% (0.95 10.00   1.65  11.14) =   7.456%  kept
          HA2   GLY  109 - QD    PHE   59  10.41 +/- 1.26   0.546% *  0.0386% (0.69  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  14.81 +/- 1.02   0.051% *  0.0487% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  16.00 +/- 1.39   0.036% *  0.0551% (0.98  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  12.50 +/- 0.97   0.147% *  0.0111% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.74, residual support = 58.6:
      O   HB2   PHE   59 - QD    PHE   59   2.47 +/- 0.16  99.544% * 99.6982% (0.97  10.0   2.74  58.62) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.30 +/- 0.95   0.240% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   8.74 +/- 1.27   0.107% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59   8.93 +/- 0.95   0.064% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  10.00 +/- 1.32   0.034% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.37 +/- 1.45   0.011% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 3.17, residual support = 58.6:
      O   HB3   PHE   59 - QD    PHE   59   2.53 +/- 0.19  99.998% * 99.9680% (0.97  10.0   3.17  58.62) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  15.50 +/- 1.35   0.002% *  0.0320% (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 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.936, support = 2.8, residual support = 34.2:
          HB2   PRO   58 - QD    PHE   59   5.71 +/- 0.73  68.580% * 68.1649% (0.99   2.94  40.68) =  83.920%  kept
          HB2   GLN  116 - QD    PHE   59   6.83 +/- 0.88  28.759% * 31.1109% (0.65   2.06   0.30) =  16.062%  kept
          HB3   PHE   97 - QD    PHE   59  10.36 +/- 1.37   2.614% *  0.3743% (0.80   0.02   0.02) =   0.018%
          HB2   GLU- 100 - QD    PHE   59  19.71 +/- 0.96   0.039% *  0.2459% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  25.29 +/- 1.03   0.009% *  0.1041% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 5 structures by 0.64 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 19.9:
        T QG1   ILE   56 - QD    PHE   59   2.97 +/- 0.76  99.688% * 99.7160% (0.97 10.00   1.97  19.87) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  10.44 +/- 1.68   0.243% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  13.44 +/- 0.91   0.022% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.81 +/- 1.15   0.015% *  0.1045% (1.00  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.20 +/- 1.15   0.022% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  15.09 +/- 0.86   0.011% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.579, support = 2.37, residual support = 27.9:
          HB3   LEU  115 - QD    PHE   59   3.58 +/- 1.35  61.610% * 64.5842% (0.65   2.28  28.07) =  86.243%  kept
          HG    LEU  115 - QD    PHE   59   4.18 +/- 0.93  29.622% * 20.4629% (0.15   3.03  28.07) =  13.138%  kept
          QB    ALA  120 - QD    PHE   59   7.01 +/- 0.53   2.800% *  8.8898% (0.15   1.32   0.02) =   0.540%  kept
          QB    ALA   61 - QD    PHE   59   6.22 +/- 0.56   3.937% *  0.6007% (0.69   0.02   0.19) =   0.051%
          QG    LYS+  66 - QD    PHE   59   6.99 +/- 1.69   0.885% *  0.8439% (0.97   0.02   0.02) =   0.016%
          QB    ALA  110 - QD    PHE   59   7.84 +/- 1.12   0.694% *  0.3921% (0.45   0.02   0.02) =   0.006%
          HB3   LEU   67 - QD    PHE   59   9.95 +/- 1.56   0.167% *  0.7304% (0.84   0.02   0.02) =   0.003%
          HG    LEU   67 - QD    PHE   59  10.03 +/- 1.76   0.223% *  0.4601% (0.53   0.02   0.02) =   0.002%
          HG    LEU   40 - QD    PHE   59  13.15 +/- 1.31   0.032% *  0.5657% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  15.28 +/- 0.87   0.012% *  0.8725% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  16.74 +/- 1.84   0.008% *  0.4256% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  16.82 +/- 1.25   0.008% *  0.3282% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.42 +/- 1.97   0.002% *  0.8439% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.44, support = 2.95, residual support = 21.4:
        T HG13  ILE  119 - QD    PHE   59   2.79 +/- 0.73  86.240% * 67.5497% (0.41 10.00   3.13  22.88) =  93.219%  kept
        T QG1   VAL  107 - QD    PHE   59   4.42 +/- 0.85  13.219% * 32.0513% (0.84 10.00   0.47   1.11) =   6.780%  kept
          HD3   LYS+ 112 - QD    PHE   59   8.39 +/- 1.58   0.537% *  0.1611% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD    PHE   59  16.93 +/- 1.43   0.003% *  0.1643% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  19.47 +/- 0.82   0.001% *  0.0737% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.882, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.39 +/- 0.51  65.982% * 60.0043% (0.98   0.02   0.02) =  84.050%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.74 +/- 0.56  28.946% * 22.9752% (0.38   0.02   0.02) =  14.118%  kept
          HB3   LEU  104 - QD    PHE   59  13.28 +/- 1.48   5.071% * 17.0205% (0.28   0.02   0.02) =   1.832%  kept
    Distance limit 4.80 A violated in 20 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.966, support = 3.97, residual support = 23.1:
          QD2   LEU  115 - QD    PHE   59   3.49 +/- 0.94  45.718% * 79.1497% (0.98   4.62  28.07) =  81.701%  kept
          QD1   LEU   63 - QD    PHE   59   3.40 +/- 0.77  44.472% * 17.7831% (0.92   1.10   0.74) =  17.856%  kept
          QD2   LEU   63 - QD    PHE   59   4.55 +/- 0.93   9.752% *  2.0075% (0.34   0.34   0.74) =   0.442%
          QD1   LEU  104 - QD    PHE   59  11.70 +/- 0.99   0.032% *  0.2801% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  13.36 +/- 0.71   0.011% *  0.3229% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.64 +/- 1.29   0.007% *  0.3375% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  14.69 +/- 1.63   0.008% *  0.1193% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 4.39, residual support = 28.1:
        T QD1   LEU  115 - QD    PHE   59   3.77 +/- 1.00  94.893% * 99.9042% (0.84 10.00   4.39  28.07) =  99.998%  kept
          QG1   VAL   75 - QD    PHE   59   8.94 +/- 0.92   1.534% *  0.0774% (0.65  1.00   0.02   0.02) =   0.001%
          QB    ALA   64 - QD    PHE   59   7.24 +/- 0.54   3.573% *  0.0185% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 2 structures by 0.19 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 28.0:
        T HA    LEU  115 - QE    PHE   59   3.14 +/- 1.00  96.738% * 91.7450% (0.73 10.00   1.50  28.07) =  99.812%  kept
          HA    GLU- 114 - QE    PHE   59   6.73 +/- 0.54   2.267% *  7.3303% (1.00  1.00   0.87   0.02) =   0.187%
        T HA    ARG+  54 - QE    PHE   59  10.99 +/- 1.92   0.333% *  0.3334% (0.20 10.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QE    PHE   59   8.71 +/- 1.80   0.635% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.91 +/- 1.95   0.011% *  0.1651% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  18.33 +/- 1.57   0.009% *  0.1461% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  19.38 +/- 2.01   0.005% *  0.1157% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  21.64 +/- 1.67   0.003% *  0.1349% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 1 structures by 0.11 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.8, residual support = 11.1:
        T HB    THR  118 - QE    PHE   59   2.84 +/- 1.13  99.928% * 99.7371% (0.95 10.00   1.80  11.14) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  12.81 +/- 2.15   0.038% *  0.0709% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  17.16 +/- 1.71   0.018% *  0.0524% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.79 +/- 1.65   0.007% *  0.0709% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  21.60 +/- 1.69   0.007% *  0.0481% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.18 +/- 2.46   0.003% *  0.0205% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 1 structures by 0.11 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.78, support = 0.659, residual support = 1.27:
          HB    VAL  107 - QE    PHE   59   4.44 +/- 1.82  67.315% * 74.6096% (0.80   0.66   1.11) =  95.610%  kept
          HB3   ASP-  62 - QE    PHE   59   5.97 +/- 0.97  10.450% * 16.0811% (0.14   0.84   6.64) =   3.199%  kept
          QE    LYS+ 112 - QE    PHE   59   7.85 +/- 2.45  19.373% *  2.8149% (1.00   0.02   0.02) =   1.038%  kept
          HB3   PHE   45 - QE    PHE   59   9.69 +/- 2.40   2.835% *  2.8149% (1.00   0.02   0.02) =   0.152%
          HB3   ASP-  86 - QE    PHE   59  17.90 +/- 2.19   0.019% *  1.2648% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  23.61 +/- 1.51   0.003% *  1.7112% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  21.31 +/- 1.55   0.005% *  0.7035% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.726, support = 4.21, residual support = 22.9:
          HG12  ILE  119 - QE    PHE   59   3.00 +/- 0.48  98.814% * 96.2052% (0.73   4.21  22.88) =  99.993%  kept
          HB2   ASP-  44 - QE    PHE   59   7.45 +/- 1.58   1.028% *  0.6238% (0.99   0.02   0.02) =   0.007%
          HB3   PHE   72 - QE    PHE   59  12.22 +/- 1.66   0.043% *  0.6280% (1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  13.65 +/- 2.08   0.027% *  0.6169% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  11.96 +/- 2.01   0.077% *  0.1569% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  17.46 +/- 1.58   0.005% *  0.5954% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.87 +/- 1.83   0.004% *  0.6280% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  22.36 +/- 1.84   0.001% *  0.2147% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  25.64 +/- 2.48   0.000% *  0.3311% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.661, support = 2.98, residual support = 15.8:
          HG13  ILE  119 - QE    PHE   59   3.78 +/- 0.78  33.319% * 78.7853% (0.73   3.79  22.88) =  67.649%  kept
          QG1   VAL  107 - QE    PHE   59   3.39 +/- 1.19  63.989% * 19.5959% (0.53   1.30   1.11) =  32.314%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.95 +/- 2.07   2.672% *  0.5417% (0.95   0.02   0.02) =   0.037%
          QG1   VAL   24 - QE    PHE   59  16.87 +/- 2.14   0.006% *  0.4967% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  14.64 +/- 1.13   0.013% *  0.1428% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  18.77 +/- 1.74   0.002% *  0.4376% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.757, support = 2.2, residual support = 19.2:
        T QD2   LEU  115 - QE    PHE   59   4.09 +/- 1.12  35.126% * 78.1695% (0.87 10.00   2.83  28.07) =  67.692%  kept
        T QD1   LEU   63 - QE    PHE   59   3.50 +/- 1.15  64.578% * 20.2917% (0.53 10.00   0.86   0.74) =  32.305%  kept
        T QD1   LEU  104 - QE    PHE   59  10.55 +/- 1.42   0.102% *  0.8992% (1.00 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QE    PHE   59  13.26 +/- 1.49   0.016% *  0.4741% (0.53 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59   9.42 +/- 1.87   0.156% *  0.0158% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  14.42 +/- 2.49   0.013% *  0.0689% (0.76  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.69 +/- 2.04   0.010% *  0.0808% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.9, residual support = 27.4:
          QD1   LEU  115 - QE    PHE   59   4.62 +/- 1.04  87.235% * 77.3516% (0.45   2.96  28.07) =  97.435%  kept
          QB    ALA   64 - QE    PHE   59   7.67 +/- 0.96   7.887% * 22.3239% (0.45   0.85   0.02) =   2.542%  kept
          QG1   VAL   75 - QE    PHE   59   8.98 +/- 1.87   4.879% *  0.3244% (0.28   0.02   0.02) =   0.023%
    Distance limit 4.75 A violated in 1 structures by 0.25 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.0, residual support = 11.1:
          QG2   THR  118 - QE    PHE   59   2.49 +/- 1.29 100.000% *100.0000% (0.80   4.00  11.14) = 100.000%  kept
    Distance limit 4.64 A violated in 1 structures by 0.12 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.14, residual support = 72.3:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.020% * 99.6799% (0.99  10.0   1.14  72.28) =  99.999%  kept
          QE    PHE   59 - QE    PHE   60   7.97 +/- 2.13   0.948% *  0.0493% (0.28   1.0   0.02  19.22) =   0.000%
          HN    LYS+  66 - QE    PHE   60   8.91 +/- 0.77   0.028% *  0.1354% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  12.16 +/- 1.22   0.004% *  0.1354% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.767, support = 0.749, residual support = 3.51:
          HB2   ASP-  44 - QE    PHE   60   3.79 +/- 0.73  96.461% * 31.0426% (0.76   0.75   3.59) =  97.732%  kept
          HB3   PHE   72 - QE    PHE   60   8.89 +/- 0.95   1.051% * 39.3790% (0.87   0.84   0.15) =   1.351%  kept
          HG12  ILE  119 - QE    PHE   60  10.43 +/- 1.43   1.088% * 25.1709% (0.98   0.47   0.02) =   0.893%  kept
          QG    GLN   90 - QE    PHE   60  11.73 +/- 2.19   0.264% *  0.9999% (0.92   0.02   0.02) =   0.009%
          HG3   MET   92 - QE    PHE   60  12.45 +/- 2.06   0.343% *  0.6133% (0.57   0.02   0.02) =   0.007%
          HB2   ASP- 105 - QE    PHE   60  14.06 +/- 2.35   0.648% *  0.2412% (0.22   0.02   0.02) =   0.005%
          QG    GLU-  14 - QE    PHE   60  15.08 +/- 2.38   0.074% *  0.8673% (0.80   0.02   0.02) =   0.002%
          QG    GLU-  15 - QE    PHE   60  15.18 +/- 1.20   0.044% *  0.7007% (0.65   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   60  16.63 +/- 1.15   0.021% *  0.7440% (0.69   0.02   0.02) =   0.001%
          QB    MET   11 - QE    PHE   60  21.95 +/- 2.81   0.007% *  0.2412% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.871, support = 0.314, residual support = 0.0837:
          HG3   LYS+  65 - QE    PHE   60   7.72 +/- 1.67  15.197% * 17.3413% (1.00  1.00   0.24   0.10) =  39.436%  kept
          HB    VAL   42 - QE    PHE   60   8.94 +/- 1.38   5.079% * 30.4201% (1.00  1.00   0.41   0.15) =  23.121%  kept
          HB3   LEU   73 - QE    PHE   60   9.15 +/- 1.41   3.646% * 38.5983% (0.98  1.00   0.53   0.02) =  21.057%  kept
          HB3   LYS+  74 - QE    PHE   60   6.11 +/- 2.10  58.925% *  1.6234% (0.25  1.00   0.09   0.02) =  14.315%  kept
        T QB    ALA   84 - QE    PHE   60   9.54 +/- 1.01   1.862% *  3.6804% (0.25 10.00   0.02   0.02) =   1.026%  kept
          HB3   PRO   93 - QE    PHE   60   8.31 +/- 1.93  12.204% *  0.4104% (0.28  1.00   0.02   0.02) =   0.749%  kept
          HG3   LYS+ 106 - QE    PHE   60  13.65 +/- 2.38   0.566% *  1.2329% (0.84  1.00   0.02   0.02) =   0.104%
          HD3   LYS+ 121 - QE    PHE   60  14.93 +/- 2.67   1.160% *  0.3286% (0.22  1.00   0.02   0.02) =   0.057%
          QB    LEU   98 - QE    PHE   60  12.71 +/- 1.34   0.421% *  0.7184% (0.49  1.00   0.02   0.02) =   0.045%
          HB2   LYS+ 112 - QE    PHE   60  15.10 +/- 2.22   0.157% *  1.3625% (0.92  1.00   0.02   0.02) =   0.032%
          HG    LEU   98 - QE    PHE   60  12.42 +/- 1.67   0.619% *  0.2585% (0.18  1.00   0.02   0.02) =   0.024%
          HG3   LYS+  33 - QE    PHE   60  16.63 +/- 1.29   0.073% *  1.4727% (1.00  1.00   0.02   0.02) =   0.016%
          QB    ALA   12 - QE    PHE   60  18.30 +/- 2.58   0.067% *  1.1280% (0.76  1.00   0.02   0.02) =   0.011%
          HG3   LYS+ 102 - QE    PHE   60  19.92 +/- 2.19   0.024% *  1.4244% (0.97  1.00   0.02   0.02) =   0.005%
    Distance limit 5.02 A violated in 1 structures by 0.16 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.218, support = 0.02, residual support = 2.1:
        T QD1   ILE   56 - QE    PHE   60   7.69 +/- 1.43  93.056% * 54.5438% (0.20 10.00   0.02   2.16) =  96.953%  kept
          QD2   LEU  123 - QE    PHE   60  13.76 +/- 1.19   3.786% * 25.4425% (0.92  1.00   0.02   0.02) =   1.840%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.18 +/- 2.29   3.158% * 20.0137% (0.73  1.00   0.02   0.02) =   1.207%  kept
    Distance limit 5.24 A violated in 17 structures by 2.48 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.823, support = 1.68, residual support = 3.35:
          QB    ALA   64 - QE    PHE   60   4.35 +/- 0.94  79.275% * 84.4047% (0.84   1.70   3.43) =  97.542%  kept
          QG1   VAL   42 - QE    PHE   60   6.69 +/- 1.39  10.844% * 15.0623% (0.34   0.74   0.15) =   2.381%  kept
          QB    ALA   47 - QE    PHE   60   6.90 +/- 1.24   9.881% *  0.5330% (0.45   0.02   0.02) =   0.077%
    Distance limit 4.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.59:
          HB2   ASP-  44 - QD    PHE   60   2.62 +/- 0.57  99.246% * 94.7353% (0.87   2.00   3.59) =  99.996%  kept
          HG12  ILE  119 - QD    PHE   60   8.58 +/- 1.07   0.566% *  0.3725% (0.34   0.02   0.02) =   0.002%
          HB3   PHE   72 - QD    PHE   60   9.09 +/- 0.76   0.113% *  0.8346% (0.76   0.02   0.15) =   0.001%
          QG    GLN   90 - QD    PHE   60  11.71 +/- 1.61   0.021% *  0.7502% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  11.36 +/- 1.42   0.043% *  0.1913% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   60  15.88 +/- 1.91   0.005% *  0.9122% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD    PHE   60  15.60 +/- 1.13   0.004% *  1.0331% (0.95   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  22.74 +/- 2.42   0.001% *  0.9795% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.82 +/- 1.04   0.001% *  0.1913% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 3.21, residual support = 91.8:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.986% * 99.8968% (0.87  10.0   3.21  91.85) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  10.38 +/- 0.89   0.011% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  12.91 +/- 0.46   0.003% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.557, support = 0.02, residual support = 0.1:
          QD    PHE   60 - QD    PHE   72   6.61 +/- 0.66  31.932% * 30.8074% (0.76   0.02   0.15) =  58.138%  kept
          HE3   TRP   27 - QD    PHE   72   6.07 +/- 0.93  55.025% * 10.0518% (0.25   0.02   0.02) =  32.687%  kept
          HN    LYS+  66 - QD    PHE   72   7.76 +/- 0.61  12.574% * 11.2082% (0.28   0.02   0.11) =   8.328%  kept
          HN    LYS+  81 - QD    PHE   72  13.97 +/- 0.61   0.331% * 39.9550% (0.99   0.02   0.02) =   0.782%  kept
          QD    PHE   55 - QD    PHE   72  16.26 +/- 0.70   0.138% *  7.9776% (0.20   0.02   0.02) =   0.065%
    Distance limit 4.30 A violated in 14 structures by 1.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.597, support = 0.373, residual support = 10.4:
          HN    LEU   63 - QD    PHE   72   8.03 +/- 0.45  19.155% * 76.5559% (0.80   0.43  15.69) =  65.913%  kept
          QE    PHE   60 - QD    PHE   72   6.37 +/- 0.87  68.631% * 10.4857% (0.18   0.27   0.15) =  32.347%  kept
          HZ2   TRP   87 - QD    PHE   72  10.13 +/- 2.11   7.605% *  3.2146% (0.73   0.02   0.02) =   1.099%  kept
          HD21  ASN   28 - QD    PHE   72  11.30 +/- 0.92   2.845% *  3.9702% (0.90   0.02   0.02) =   0.508%  kept
          HN    ALA   84 - QD    PHE   72  12.68 +/- 0.72   1.193% *  1.3664% (0.31   0.02   0.02) =   0.073%
          HN    ILE   56 - QD    PHE   72  15.55 +/- 0.78   0.338% *  3.0409% (0.69   0.02   0.02) =   0.046%
          HN    LYS+ 111 - QD    PHE   72  16.86 +/- 1.41   0.235% *  1.3664% (0.31   0.02   0.02) =   0.014%
    Distance limit 4.96 A violated in 13 structures by 0.98 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.64, residual support = 91.8:
          HN    PHE   72 - QD    PHE   72   2.47 +/- 0.46  99.975% * 99.8242% (0.98   5.64  91.85) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  10.85 +/- 0.42   0.025% *  0.1758% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 1.98, residual support = 91.8:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.136% * 52.6465% (0.76  10.0 10.00   1.00  91.85) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.757% * 47.3200% (0.69  10.0 10.00   3.21  91.85) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72   6.24 +/- 0.38   0.107% *  0.0335% (0.49   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 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.35, support = 0.734, residual support = 0.106:
          HN    LYS+  66 - QE    PHE   72   6.01 +/- 0.50  22.395% * 53.6598% (0.28   0.89   0.11) =  75.309%  kept
          QD    PHE   60 - QE    PHE   72   4.70 +/- 0.65  73.462% *  3.3324% (0.76   0.02   0.15) =  15.341%  kept
          HE3   TRP   27 - QE    PHE   72   7.85 +/- 0.75   3.928% * 37.8229% (0.25   0.70   0.02) =   9.312%  kept
          HN    LYS+  81 - QE    PHE   72  13.86 +/- 0.52   0.124% *  4.3219% (0.99   0.02   0.02) =   0.033%
          QD    PHE   55 - QE    PHE   72  14.58 +/- 0.74   0.091% *  0.8629% (0.20   0.02   0.02) =   0.005%
    Distance limit 4.50 A violated in 0 structures by 0.14 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 91.8:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.996% * 99.8250% (1.00  10.0   1.00  91.85) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  12.52 +/- 0.79   0.003% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  14.66 +/- 0.74   0.001% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 4.76, residual support = 91.8:
          HA    PHE   72 - QD    PHE   72   3.67 +/- 0.21  99.487% * 99.8403% (0.90   4.76  91.85) =  99.999%  kept
          HA    MET   96 - QD    PHE   72   8.93 +/- 0.23   0.513% *  0.1597% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 0.326, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72   7.71 +/- 0.20  84.803% *  9.9133% (0.22   0.02   0.02) =  72.916%  kept
          HA    THR   23 - QD    PHE   72  12.42 +/- 0.56   5.095% * 28.8048% (0.65   0.02   0.02) =  12.730%  kept
          HA    ASP-  78 - QD    PHE   72  14.55 +/- 0.32   1.911% * 41.1037% (0.92   0.02   0.02) =   6.814%  kept
          HA    LEU   80 - QD    PHE   72  12.57 +/- 0.98   5.034% * 12.3802% (0.28   0.02   0.02) =   5.405%  kept
          HB    THR   23 - QD    PHE   72  13.47 +/- 0.69   3.157% *  7.7981% (0.18   0.02   0.02) =   2.135%  kept
    Distance limit 4.92 A violated in 20 structures by 2.58 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.347, support = 4.3, residual support = 79.4:
      O T HB2   PHE   72 - QD    PHE   72   2.44 +/- 0.08  94.738% * 17.6413% (0.20  10.0 10.00   4.59  91.85) =  79.474%  kept
        T HA    ALA   64 - QD    PHE   72   4.10 +/- 0.36   5.245% * 82.2895% (0.92   1.0 10.00   3.18  30.96) =  20.526%  kept
          QE    LYS+  66 - QD    PHE   72  11.06 +/- 0.86   0.012% *  0.0222% (0.25   1.0  1.00   0.02   0.11) =   0.000%
          HB3   ASN   35 - QD    PHE   72  13.16 +/- 0.89   0.004% *  0.0469% (0.53   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 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.93, residual support = 91.8:
      O T HB3   PHE   72 - QD    PHE   72   2.38 +/- 0.07  97.895% * 99.4111% (0.98  10.0 10.00   4.93  91.85) =  99.998%  kept
          HB2   ASP-  44 - QD    PHE   72   5.00 +/- 0.65   2.037% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   9.27 +/- 0.98   0.037% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  11.01 +/- 1.12   0.014% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  11.78 +/- 0.75   0.007% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  12.24 +/- 0.62   0.006% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  14.15 +/- 1.33   0.003% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.56 +/- 0.85   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  18.06 +/- 1.31   0.001% *  0.0381% (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 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 1.08, residual support = 5.7:
        T HB    VAL   42 - QD    PHE   72   3.62 +/- 0.62  79.525% * 54.0018% (0.80 10.00   0.59   0.46) =  87.680%  kept
          HB3   LEU   73 - QD    PHE   72   5.03 +/- 0.54  15.195% * 38.8569% (0.73  1.00   4.69  43.99) =  12.055%  kept
          HB3   LYS+  74 - QD    PHE   72   6.48 +/- 0.32   2.805% *  4.4845% (0.57  1.00   0.69   0.02) =   0.257%
          QB    LEU   98 - QD    PHE   72   7.79 +/- 0.58   1.158% *  0.1907% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  65 - QD    PHE   72   9.01 +/- 0.76   0.470% *  0.1828% (0.80  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD    PHE   72   9.99 +/- 0.99   0.289% *  0.1981% (0.87  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD    PHE   72  11.90 +/- 1.13   0.201% *  0.1111% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  10.40 +/- 1.15   0.197% *  0.0857% (0.38  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  12.92 +/- 2.27   0.103% *  0.1201% (0.53  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  19.20 +/- 1.05   0.005% *  1.3850% (0.61 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  14.37 +/- 1.54   0.027% *  0.2263% (0.99  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  14.64 +/- 0.84   0.024% *  0.1568% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.419, support = 1.49, residual support = 31.7:
        T QD1   LEU   67 - QD    PHE   72   3.56 +/- 1.63  74.655% * 91.8214% (0.41 10.00   1.50  32.17) =  98.615%  kept
          HB    VAL   75 - QD    PHE   72   4.63 +/- 0.44  15.260% *  6.1998% (0.98  1.00   0.42   0.31) =   1.361%  kept
          QD2   LEU   40 - QD    PHE   72   5.84 +/- 0.80   7.312% *  0.1335% (0.45  1.00   0.02   0.02) =   0.014%
        T QD1   ILE  119 - QD    PHE   72  10.29 +/- 1.15   0.332% *  1.5668% (0.53 10.00   0.02   0.02) =   0.007%
          HG3   LYS+  74 - QD    PHE   72   7.07 +/- 0.53   2.132% *  0.0663% (0.22  1.00   0.02   0.02) =   0.002%
          QG2   ILE  103 - QD    PHE   72  10.36 +/- 0.43   0.129% *  0.0919% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   72  10.84 +/- 0.53   0.112% *  0.0743% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  11.51 +/- 1.36   0.069% *  0.0459% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.94, support = 6.41, residual support = 43.6:
          QD2   LEU   73 - QD    PHE   72   3.35 +/- 1.37  69.981% * 93.5196% (0.95   6.46  43.99) =  99.202%  kept
          QG1   VAL   41 - QD    PHE   72   5.20 +/- 0.84   7.103% *  5.0057% (0.28   1.18   0.02) =   0.539%  kept
          QG1   VAL   43 - QD    PHE   72   4.26 +/- 0.59  22.510% *  0.7546% (0.15   0.32   0.02) =   0.257%
          HG    LEU   31 - QD    PHE   72   8.84 +/- 1.12   0.318% *  0.2557% (0.84   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD    PHE   72  11.72 +/- 0.72   0.051% *  0.3034% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD    PHE   72  12.59 +/- 1.35   0.036% *  0.1610% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 31.0:
        T QB    ALA   64 - QD    PHE   72   3.57 +/- 0.54  99.923% * 99.9781% (0.80 10.00   4.15  30.96) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72  12.35 +/- 1.08   0.077% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.44, residual support = 48.0:
        T QG2   VAL   70 - QD    PHE   72   2.69 +/- 0.54 100.000% *100.0000% (0.65 10.00   4.44  47.96) = 100.000%  kept
    Distance limit 4.70 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 = 3.64, residual support = 31.0:
        T HA    ALA   64 - QE    PHE   72   2.38 +/- 0.56  99.938% * 99.5248% (0.38 10.00   3.64  30.96) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   9.63 +/- 0.69   0.058% *  0.2123% (0.80  1.00   0.02   0.11) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.23 +/- 0.76   0.003% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 47.4:
        T HB    VAL   70 - QE    PHE   72   3.47 +/- 0.61  88.341% * 90.3857% (0.99 10.00   5.03  47.96) =  98.843%  kept
        T QG    GLN   17 - QE    PHE   72   6.86 +/- 1.57   9.970% *  9.3659% (0.97 10.00   0.21   0.02) =   1.156%  kept
          HB2   MET   96 - QE    PHE   72   7.57 +/- 0.72   1.256% *  0.0762% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  76 - QE    PHE   72   9.15 +/- 0.89   0.299% *  0.0281% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  11.75 +/- 0.98   0.080% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.59 +/- 0.90   0.028% *  0.0342% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  15.75 +/- 0.48   0.011% *  0.0818% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  15.10 +/- 0.47   0.015% *  0.0141% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.445, support = 3.04, residual support = 31.8:
        T HB2   LEU   67 - QE    PHE   72   3.29 +/- 1.49  69.367% * 95.8888% (0.45 10.00   3.06  32.17) =  98.658%  kept
          HB    VAL   18 - QE    PHE   72   4.45 +/- 1.34  28.749% *  3.1411% (0.22  1.00   1.32   2.61) =   1.339%  kept
          HB    ILE   19 - QE    PHE   72   7.43 +/- 0.55   0.786% *  0.1553% (0.73  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - QE    PHE   72   8.70 +/- 0.87   0.202% *  0.1713% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - QE    PHE   72   8.03 +/- 1.27   0.723% *  0.0375% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  13.21 +/- 0.54   0.026% *  0.1855% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  13.07 +/- 1.00   0.026% *  0.1786% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72  10.43 +/- 0.75   0.091% *  0.0375% (0.18  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.80 +/- 1.00   0.024% *  0.1384% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  15.99 +/- 0.55   0.006% *  0.0660% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 3.03, residual support = 31.8:
          HB3   LEU   67 - QE    PHE   72   3.30 +/- 1.26  87.485% * 68.0641% (0.38   3.06  32.17) =  98.909%  kept
          QB    ALA   61 - QE    PHE   72   6.36 +/- 0.71   5.849% *  6.8240% (0.53   0.22   0.02) =   0.663%  kept
          HG12  ILE   19 - QE    PHE   72   8.26 +/- 1.42   1.099% * 18.5365% (0.84   0.37   0.02) =   0.338%
          HB3   LYS+  74 - QE    PHE   72   6.14 +/- 0.89   4.222% *  1.0632% (0.90   0.02   0.02) =   0.075%
          QB    LEU   98 - QE    PHE   72   8.88 +/- 0.72   0.377% *  0.7669% (0.65   0.02   0.02) =   0.005%
          HB2   LEU   80 - QE    PHE   72  10.61 +/- 1.26   0.198% *  1.1751% (0.99   0.02   0.02) =   0.004%
          HG    LEU   80 - QE    PHE   72  10.57 +/- 1.44   0.177% *  0.8609% (0.73   0.02   0.02) =   0.003%
          QG    LYS+  66 - QE    PHE   72   7.82 +/- 0.70   0.478% *  0.2639% (0.22   0.02   0.11) =   0.002%
          HD3   LYS+ 121 - QE    PHE   72  12.11 +/- 2.28   0.059% *  1.0944% (0.92   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  13.43 +/- 0.73   0.023% *  0.9060% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  15.19 +/- 1.77   0.032% *  0.4450% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.416, support = 4.05, residual support = 31.9:
        T QD1   LEU   67 - QE    PHE   72   2.80 +/- 1.52  83.496% * 92.8528% (0.41 10.00   4.08  32.17) =  99.103%  kept
          HB    VAL   75 - QE    PHE   72   3.80 +/- 0.32  12.326% *  5.6465% (0.98  1.00   0.51   0.31) =   0.890%  kept
        T QD1   ILE  119 - QE    PHE   72   8.78 +/- 1.16   0.262% *  1.1883% (0.53 10.00   0.02   0.02) =   0.004%
          HG3   LYS+  74 - QE    PHE   72   6.17 +/- 1.12   2.659% *  0.0503% (0.22  1.00   0.02   0.02) =   0.002%
          QD2   LEU   40 - QE    PHE   72   6.59 +/- 1.00   0.834% *  0.1013% (0.45  1.00   0.02   0.02) =   0.001%
          QG2   VAL  108 - QE    PHE   72  10.87 +/- 1.75   0.370% *  0.0348% (0.15  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.58 +/- 0.82   0.030% *  0.0697% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  11.05 +/- 1.10   0.024% *  0.0563% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.432, support = 3.7, residual support = 21.2:
          HB3   LEU   63 - QE    PHE   72   4.84 +/- 1.40  10.517% * 71.8692% (0.73   4.39  15.69) =  42.771%  kept
          QG1   VAL   70 - QE    PHE   72   3.68 +/- 1.13  26.315% * 19.2687% (0.18   4.89  47.96) =  28.693%  kept
          QG1   VAL   18 - QE    PHE   72   2.78 +/- 0.62  60.879% *  8.2766% (0.25   1.47   2.61) =  28.513%  kept
          QD1   LEU   40 - QE    PHE   72   6.08 +/- 0.72   1.998% *  0.1390% (0.31   0.02   0.02) =   0.016%
          QG1   VAL  108 - QE    PHE   72  12.44 +/- 1.74   0.292% *  0.4464% (0.99   0.02   0.02) =   0.007%
    Distance limit 4.17 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 = 0.821, support = 3.64, residual support = 17.6:
          QD2   LEU   63 - QE    PHE   72   4.28 +/- 0.72  55.300% * 26.8050% (0.69   3.53  15.69) =  54.149%  kept
          QD1   LEU   63 - QE    PHE   72   4.92 +/- 0.70  25.174% * 42.6287% (0.98   3.94  15.69) =  39.201%  kept
          QD1   LEU   73 - QE    PHE   72   6.32 +/- 0.58   6.022% * 30.1165% (0.98   2.78  43.99) =   6.625%  kept
          QG2   VAL   41 - QE    PHE   72   5.69 +/- 0.71  11.798% *  0.0387% (0.18   0.02   0.02) =   0.017%
          QD2   LEU   80 - QE    PHE   72   9.19 +/- 1.33   0.963% *  0.1517% (0.69   0.02   0.02) =   0.005%
          QD1   LEU  104 - QE    PHE   72   9.63 +/- 0.99   0.513% *  0.0990% (0.45   0.02   0.02) =   0.002%
          QD2   LEU  115 - QE    PHE   72  10.96 +/- 1.10   0.229% *  0.1604% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.60 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 = 0.684, support = 4.68, residual support = 30.8:
          QB    ALA   64 - QE    PHE   72   2.43 +/- 0.36  75.084% * 98.2852% (0.69   4.70  30.96) =  99.588%  kept
          QG1   VAL   42 - QE    PHE   72   3.34 +/- 0.75  24.908% *  1.2246% (0.49   0.08   0.46) =   0.412%
          QB    ALA   47 - QE    PHE   72  11.27 +/- 0.40   0.008% *  0.3696% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  17.14 +/- 1.72   0.001% *  0.1206% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.19, residual support = 48.0:
        T QG2   VAL   70 - QE    PHE   72   3.73 +/- 0.22 100.000% *100.0000% (0.90 10.00   5.19  47.96) = 100.000%  kept
    Distance limit 4.14 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 = 2.76, residual support = 31.0:
        T HA    ALA   64 - HZ    PHE   72   3.10 +/- 0.90  99.840% * 99.7900% (0.65 10.00   2.76  30.96) = 100.000%  kept
          QE    LYS+  66 - HZ    PHE   72  10.58 +/- 0.71   0.150% *  0.0812% (0.53  1.00   0.02   0.11) =   0.000%
          HB3   ASN   35 - HZ    PHE   72  18.12 +/- 0.84   0.010% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 1 structures by 0.07 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 3.88, residual support = 46.2:
        T HB    VAL   70 - HZ    PHE   72   5.77 +/- 0.57  70.518% * 87.9923% (0.92 10.00   4.03  47.96) =  96.237%  kept
        T QG    GLN   17 - HZ    PHE   72   8.18 +/- 1.86  20.992% * 11.3606% (0.97 10.00   0.25   0.02) =   3.699%  kept
        T HB2   MET   96 - HZ    PHE   72   8.94 +/- 1.17   8.230% *  0.5015% (0.53 10.00   0.02   0.02) =   0.064%
          HB2   GLU-  25 - HZ    PHE   72  18.77 +/- 0.45   0.054% *  0.0951% (1.00  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HZ    PHE   72  18.07 +/- 0.50   0.069% *  0.0358% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  16.29 +/- 1.01   0.136% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 3 structures by 0.66 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.443, support = 2.92, residual support = 31.5:
        T HB2   LEU   67 - HZ    PHE   72   5.05 +/- 1.64  54.988% * 96.0055% (0.45 10.00   2.96  32.17) =  97.613%  kept
          HB    VAL   18 - HZ    PHE   72   5.03 +/- 1.78  42.610% *  3.0233% (0.22  1.00   1.27   2.61) =   2.382%  kept
          HB    ILE   19 - HZ    PHE   72   9.10 +/- 0.70   0.846% *  0.1555% (0.73  1.00   0.02   0.02) =   0.002%
          HG2   PRO   68 - HZ    PHE   72  10.72 +/- 0.88   0.442% *  0.1715% (0.80  1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HZ    PHE   72   9.61 +/- 1.44   0.644% *  0.0375% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  13.71 +/- 1.34   0.124% *  0.1789% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  13.72 +/- 1.39   0.134% *  0.1385% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  13.66 +/- 0.75   0.087% *  0.1858% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  12.66 +/- 0.83   0.113% *  0.0375% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  19.04 +/- 0.52   0.011% *  0.0661% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 1 structures by 0.08 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.376, support = 2.9, residual support = 31.5:
          HB3   LEU   67 - HZ    PHE   72   5.41 +/- 1.27  62.211% * 62.9971% (0.38   2.96  32.17) =  97.780%  kept
          HG12  ILE   19 - HZ    PHE   72  10.00 +/- 1.65   1.700% * 19.6805% (0.84   0.42   0.02) =   0.835%  kept
          QG    LYS+  66 - HZ    PHE   72   8.61 +/- 0.78   3.038% * 10.6814% (0.22   0.85   0.11) =   0.810%  kept
          QB    ALA   61 - HZ    PHE   72   6.33 +/- 1.02  24.302% *  0.5973% (0.53   0.02   0.02) =   0.362%
          HB3   LYS+  74 - HZ    PHE   72   7.68 +/- 1.36   6.598% *  1.0181% (0.90   0.02   0.02) =   0.168%
          QB    LEU   98 - HZ    PHE   72  10.54 +/- 0.95   0.977% *  0.7344% (0.65   0.02   0.02) =   0.018%
          HD3   LYS+ 121 - HZ    PHE   72  13.47 +/- 2.49   0.469% *  1.0480% (0.92   0.02   0.02) =   0.012%
          HB2   LEU   80 - HZ    PHE   72  13.13 +/- 1.36   0.255% *  1.1252% (0.99   0.02   0.02) =   0.007%
          HG    LEU   80 - HZ    PHE   72  13.14 +/- 1.55   0.263% *  0.8244% (0.73   0.02   0.02) =   0.005%
          QB    ALA  110 - HZ    PHE   72  14.47 +/- 0.99   0.134% *  0.8676% (0.76   0.02   0.02) =   0.003%
          QB    ALA   12 - HZ    PHE   72  17.62 +/- 2.08   0.053% *  0.4261% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 4 structures by 0.71 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.433, support = 3.67, residual support = 30.9:
        T QD1   LEU   67 - HZ    PHE   72   4.05 +/- 1.64  82.780% * 65.6756% (0.41 10.00   3.80  32.17) =  96.125%  kept
        T HB    VAL   75 - HZ    PHE   72   5.90 +/- 0.29   6.551% * 33.2630% (0.98 10.00   0.42   0.31) =   3.853%  kept
        T QD1   ILE  119 - HZ    PHE   72   9.00 +/- 1.32   1.034% *  0.8405% (0.53 10.00   0.02   0.02) =   0.015%
          HG3   LYS+  74 - HZ    PHE   72   7.23 +/- 1.74   6.228% *  0.0356% (0.22  1.00   0.02   0.02) =   0.004%
          QD2   LEU   40 - HZ    PHE   72   8.20 +/- 1.09   1.216% *  0.0716% (0.45  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HZ    PHE   72  12.04 +/- 2.17   1.980% *  0.0246% (0.15  1.00   0.02   0.02) =   0.001%
          QG2   ILE  103 - HZ    PHE   72  12.01 +/- 1.25   0.123% *  0.0493% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72  12.72 +/- 1.46   0.088% *  0.0398% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 1 structures by 0.24 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.888, support = 3.08, residual support = 16.2:
        T HB3   LEU   63 - HZ    PHE   72   4.60 +/- 1.84  32.274% * 69.5434% (0.95 10.00   3.17  15.69) =  88.551%  kept
          QG1   VAL   18 - HZ    PHE   72   3.27 +/- 0.87  63.312% *  2.7747% (0.49  1.00   1.55   2.61) =   6.931%  kept
        T QG1   VAL   70 - HZ    PHE   72   5.50 +/- 1.12   4.150% * 27.5914% (0.38 10.00   3.61  47.96) =   4.518%  kept
          QG1   VAL  108 - HZ    PHE   72  13.79 +/- 2.00   0.121% *  0.0614% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   9.38 +/- 0.69   0.099% *  0.0145% (0.20  1.00   0.02  19.45) =   0.000%
          QD1   LEU  123 - HZ    PHE   72  10.83 +/- 1.14   0.044% *  0.0145% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.858, support = 2.81, residual support = 16.3:
          QD1   LEU   63 - HZ    PHE   72   4.73 +/- 0.80  40.618% * 42.5785% (0.98   3.05  15.69) =  56.371%  kept
          QD2   LEU   63 - HZ    PHE   72   4.54 +/- 1.00  52.012% * 24.5093% (0.69   2.50  15.69) =  41.551%  kept
          QD1   LEU   73 - HZ    PHE   72   8.18 +/- 0.57   1.960% * 32.3319% (0.98   2.32  43.99) =   2.065%  kept
          QG2   VAL   41 - HZ    PHE   72   7.08 +/- 0.80   4.481% *  0.0499% (0.18   0.02   0.02) =   0.007%
          QD2   LEU   80 - HZ    PHE   72  11.38 +/- 1.40   0.372% *  0.1957% (0.69   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ    PHE   72  11.43 +/- 1.23   0.316% *  0.2069% (0.73   0.02   0.02) =   0.002%
          QD1   LEU  104 - HZ    PHE   72  11.29 +/- 1.21   0.242% *  0.1278% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.34, residual support = 48.0:
        T QG2   VAL   70 - HZ    PHE   72   5.34 +/- 0.16 100.000% *100.0000% (0.90 10.00   4.34  47.96) = 100.000%  kept
    Distance limit 4.94 A violated in 0 structures by 0.40 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.86, residual support = 70.4:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.86  70.42) = 100.000%  kept
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.998% * 99.9913% (0.98  10.0   1.00  70.42) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.00 +/- 1.26   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 70.4:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.982% * 99.8601% (0.98  10.0 10.00   1.00  70.42) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  11.06 +/- 1.45   0.018% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  22.00 +/- 2.03   0.000% *  0.0382% (0.38   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 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 70.4:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.543% * 99.5607% (0.99  10.0   1.00  70.42) =  99.999%  kept
          HD21  ASN   28 - HH2   TRP   87   8.36 +/- 3.71   0.452% *  0.1969% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HH2   TRP   87  14.15 +/- 1.44   0.004% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  18.48 +/- 1.28   0.001% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  21.53 +/- 1.67   0.000% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 70.4:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.116% * 99.7330% (0.90  10.0   1.00  70.42) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.79 +/- 0.67   0.882% *  0.0027% (0.01   1.0   0.02  19.87) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  20.55 +/- 1.35   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  19.38 +/- 0.99   0.001% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.17 +/- 1.06   0.002% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  21.53 +/- 1.67   0.000% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 5.97:
          HZ2   TRP   27 - HZ2   TRP   87   4.20 +/- 3.60  93.939% * 99.3931% (0.87   0.75   5.97) =  99.990%  kept
          HZ    PHE   72 - HZ2   TRP   87  13.22 +/- 1.85   1.680% *  0.4715% (0.15   0.02   0.02) =   0.008%
          HZ    PHE   72 - HN    ILE   56  14.41 +/- 0.87   4.040% *  0.0205% (0.01   0.02   0.02) =   0.001%
          HZ2   TRP   27 - HN    ILE   56  20.96 +/- 1.34   0.341% *  0.1150% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 2 structures by 1.06 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.586, support = 0.02, residual support = 0.02:
          HD21  ASN   35 - HZ3   TRP   87  13.60 +/- 3.58  39.935% * 11.6802% (0.53   0.02   0.02) =  38.483%  kept
          QE    PHE   95 - HZ3   TRP   87  13.25 +/- 1.27  35.224% * 10.8062% (0.49   0.02   0.02) =  31.403%  kept
          HN    THR   23 - HZ3   TRP   87  16.34 +/- 2.39  11.712% * 11.6802% (0.53   0.02   0.02) =  11.286%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.53 +/- 1.74   3.812% * 22.0041% (0.99   0.02   0.02) =   6.920%  kept
          HD2   HIS   22 - HZ3   TRP   87  19.32 +/- 2.62   4.051% * 20.4937% (0.92   0.02   0.02) =   6.849%  kept
          HN    LEU   67 - HZ3   TRP   87  20.21 +/- 2.01   2.626% * 19.9101% (0.90   0.02   0.02) =   4.313%  kept
          QD    PHE   55 - HZ3   TRP   87  21.19 +/- 1.43   2.641% *  3.4254% (0.15   0.02   0.02) =   0.746%  kept
    Distance limit 3.85 A violated in 20 structures by 7.05 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.5:
          HN    ASP-  86 - HD1   TRP   87   4.49 +/- 0.38  99.794% * 97.7183% (0.38   3.73  22.51) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  14.76 +/- 1.36   0.087% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  14.43 +/- 1.30   0.098% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  18.79 +/- 1.10   0.021% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.89:
          QD1   LEU   31 - HH2   TRP   87   5.11 +/- 3.51 100.000% *100.0000% (0.80   0.75   1.89) = 100.000%  kept
    Distance limit 5.03 A violated in 2 structures by 1.06 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.534, support = 1.91, residual support = 3.01:
          QD2   LEU   98 - HH2   TRP   87   6.10 +/- 2.84  61.669% * 72.8339% (0.53  1.00   2.00   3.18) =  94.547%  kept
          QG2   VAL   41 - HH2   TRP   87   7.95 +/- 2.79  11.359% * 21.2015% (0.73  1.00   0.42   0.02) =   5.069%  kept
          QD1   LEU   73 - HH2   TRP   87   9.03 +/- 2.97   9.086% *  0.6206% (0.45  1.00   0.02   0.02) =   0.119%
        T QD2   LEU  115 - HH2   TRP   87  18.18 +/- 2.08   2.031% *  2.4244% (0.18 10.00   0.02   0.02) =   0.104%
          QD1   LEU   80 - HH2   TRP   87  10.36 +/- 2.31   3.326% *  0.7283% (0.53  1.00   0.02   0.02) =   0.051%
          QD2   LEU   63 - HH2   TRP   87  13.57 +/- 1.67   1.599% *  1.3569% (0.98  1.00   0.02   0.02) =   0.046%
          QD2   LEU   80 - HH2   TRP   87   9.31 +/- 2.34   9.117% *  0.2136% (0.15  1.00   0.02   0.02) =   0.041%
          QD1   LEU   63 - HH2   TRP   87  13.18 +/- 1.47   1.813% *  0.6206% (0.45  1.00   0.02   0.02) =   0.024%
    Distance limit 4.88 A violated in 10 structures by 1.47 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 0.749, residual support = 3.17:
          QD1   LEU   98 - HH2   TRP   87   6.29 +/- 2.34  91.772% * 94.3481% (0.76   0.75   3.18) =  99.862%  kept
          QD2   LEU  104 - HH2   TRP   87  12.57 +/- 1.90   2.587% *  2.3906% (0.73   0.02   0.02) =   0.071%
          QD1   ILE   19 - HH2   TRP   87  14.00 +/- 2.94   1.377% *  1.8639% (0.57   0.02   0.02) =   0.030%
          QG2   THR   46 - HH2   TRP   87  13.55 +/- 0.79   3.010% *  0.8209% (0.25   0.02   0.02) =   0.028%
          QG2   VAL   18 - HH2   TRP   87  14.30 +/- 1.92   1.253% *  0.5766% (0.18   0.02   0.02) =   0.008%
    Distance limit 4.43 A violated in 13 structures by 2.01 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.26, residual support = 70.4:
      O T HB2   TRP   87 - HE3   TRP   87   2.52 +/- 0.08  99.999% * 99.0099% (1.00  10.0 10.00   3.26  70.42) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  17.00 +/- 0.94   0.001% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.944, support = 0.452, residual support = 0.542:
        T QD1   ILE  103 - HE3   TRP   87   5.46 +/- 1.97  85.628% * 97.3551% (0.95 10.00   0.45   0.54) =  99.777%  kept
          QG2   ILE  103 - HE3   TRP   87   7.73 +/- 1.55  12.608% *  1.4561% (0.28  1.00   0.23   0.54) =   0.220%
          QD2   LEU   71 - HE3   TRP   87  16.13 +/- 1.84   0.241% *  0.3942% (0.87  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HE3   TRP   87  12.36 +/- 1.85   0.847% *  0.0796% (0.18  1.00   0.02   0.02) =   0.001%
          QG2   ILE  119 - HE3   TRP   87  18.23 +/- 1.26   0.133% *  0.4545% (1.00  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HE3   TRP   87  15.26 +/- 2.51   0.391% *  0.0899% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   87  18.06 +/- 1.66   0.152% *  0.1706% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 8 structures by 1.09 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.12, residual support = 70.4:
          HA    TRP   87 - HD1   TRP   87   4.58 +/- 0.08  99.914% * 99.0810% (0.80   4.12  70.42) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  17.87 +/- 0.69   0.029% *  0.5795% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  16.86 +/- 1.40   0.047% *  0.0927% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  21.85 +/- 0.99   0.009% *  0.2469% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 4.1, residual support = 8.97:
        T HA    VAL   83 - HD1   TRP   87   5.19 +/- 0.70  97.754% * 95.9068% (0.41 10.00   4.10   8.97) =  99.979%  kept
        T HA    VAL   24 - HD1   TRP   87  10.41 +/- 1.34   2.083% *  0.8755% (0.38 10.00   0.02   0.02) =   0.019%
        T HA    LYS+  38 - HD1   TRP   87  20.05 +/- 1.42   0.038% *  2.0922% (0.90 10.00   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HD1   TRP   87  18.63 +/- 1.38   0.058% *  1.0459% (0.45 10.00   0.02   0.02) =   0.001%
          HD2   PRO   58 - HD1   TRP   87  18.66 +/- 1.23   0.066% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 7 structures by 0.69 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 70.4:
      O   HB2   TRP   87 - HD1   TRP   87   3.84 +/- 0.04  99.949% * 99.0099% (1.00  10.0  1.00   3.93  70.42) =  99.999%  kept
        T HB2   PHE   60 - HD1   TRP   87  13.78 +/- 0.94   0.051% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.5:
        T HB2   ASP-  86 - HD1   TRP   87   3.72 +/- 0.33  99.859% * 98.2033% (1.00 10.00   3.60  22.51) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.85 +/- 1.36   0.043% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  19.18 +/- 1.67   0.006% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.83 +/- 0.86   0.073% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  18.44 +/- 1.58   0.009% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  17.93 +/- 1.39   0.009% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.8, residual support = 70.4:
      O   HB3   TRP   87 - HD1   TRP   87   2.73 +/- 0.05  99.729% * 99.2543% (0.25  10.0   3.80  70.42) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   8.07 +/- 1.24   0.269% *  0.2254% (0.57   1.0   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  22.72 +/- 1.10   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  18.74 +/- 0.64   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  22.75 +/- 1.48   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 0.838, support = 3.16, residual support = 11.7:
        T QG2   VAL   83 - HD1   TRP   87   3.59 +/- 0.89  31.591% * 87.2764% (0.90 10.00   2.90   8.97) =  76.654%  kept
          QD1   ILE   89 - HD1   TRP   87   2.94 +/- 0.57  66.544% * 12.6184% (0.65  1.00   4.01  20.47) =  23.345%  kept
          QG2   VAL   43 - HD1   TRP   87   6.20 +/- 1.20   1.779% *  0.0132% (0.14  1.00   0.02   0.02) =   0.001%
          QD2   LEU   31 - HD1   TRP   87   9.46 +/- 0.98   0.085% *  0.0921% (0.95  1.00   0.02   1.89) =   0.000%
    Distance limit 3.70 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 = 0.936, support = 0.783, residual support = 20.0:
        T QG2   ILE   89 - HD1   TRP   87   4.02 +/- 0.16  76.862% * 86.6318% (0.95 10.00   0.75  20.47) =  95.590%  kept
          QG1   VAL   83 - HD1   TRP   87   5.33 +/- 1.10  23.094% * 13.3003% (0.73  1.00   1.50   8.97) =   4.409%  kept
          QD1   LEU  104 - HD1   TRP   87  14.48 +/- 1.39   0.044% *  0.0679% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 0.511, support = 0.749, residual support = 3.02:
          QD2   LEU   98 - HZ2   TRP   87   6.71 +/- 2.46  27.813% * 82.5259% (0.53   0.75   3.18) =  94.625%  kept
          QD2   LEU  115 - HN    ILE   56   6.10 +/- 0.93  28.052% *  2.3159% (0.01   1.46   0.56) =   2.678%  kept
          QG2   VAL   41 - HZ2   TRP   87   8.01 +/- 2.36   7.141% *  3.0374% (0.73   0.02   0.02) =   0.894%  kept
          QD1   LEU   73 - HZ2   TRP   87   7.84 +/- 2.92   9.704% *  1.8753% (0.45   0.02   0.02) =   0.750%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.43 +/- 2.36   5.707% *  2.2007% (0.53   0.02   0.02) =   0.518%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.42 +/- 2.41  16.902% *  0.6454% (0.15   0.02   0.02) =   0.450%
          QD2   LEU   63 - HZ2   TRP   87  12.98 +/- 1.46   0.252% *  4.1000% (0.98   0.02   0.02) =   0.043%
          QD1   LEU   63 - HZ2   TRP   87  12.34 +/- 1.35   0.312% *  1.8753% (0.45   0.02   0.02) =   0.024%
          QD1   LEU   63 - HN    ILE   56   8.99 +/- 1.33   3.084% *  0.0814% (0.02   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    ILE   56  11.09 +/- 1.17   0.744% *  0.1779% (0.04   0.02   0.02) =   0.005%
          QD2   LEU  115 - HZ2   TRP   87  17.38 +/- 2.20   0.071% *  0.7325% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    ILE   56  16.43 +/- 1.39   0.056% *  0.0955% (0.02   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  17.58 +/- 0.91   0.041% *  0.1318% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  17.53 +/- 0.85   0.040% *  0.0955% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  17.62 +/- 0.94   0.038% *  0.0814% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  17.08 +/- 1.04   0.044% *  0.0280% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.08 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.172, support = 0.705, residual support = 1.78:
          QD1   LEU   31 - HZ2   TRP   87   5.44 +/- 3.14  53.326% * 92.4210% (0.15   0.75   1.89) =  93.820%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.35 +/- 2.03  45.281% *  7.1612% (0.45   0.02   0.02) =   6.173%  kept
          QG2   VAL   43 - HN    ILE   56  13.97 +/- 0.96   1.224% *  0.3108% (0.02   0.02   0.02) =   0.007%
          QD1   LEU   31 - HN    ILE   56  20.11 +/- 0.88   0.170% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 2 structures by 0.55 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.708, support = 2.66, residual support = 73.8:
          HA    TRP   49 - HE3   TRP   49   4.78 +/- 0.23  77.526% * 55.3257% (0.69   2.85  85.29) =  86.109%  kept
          HA    CYS   50 - HE3   TRP   49   6.39 +/- 0.93  17.407% * 38.3196% (0.87   1.56   2.75) =  13.391%  kept
          HA    ALA   47 - HE3   TRP   49   7.84 +/- 1.11   4.839% *  5.1286% (0.76   0.24  14.90) =   0.498%
          HA1   GLY  109 - HE3   TRP   49  14.42 +/- 1.70   0.151% *  0.4727% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HE3   TRP   49  15.53 +/- 1.17   0.071% *  0.3661% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  23.78 +/- 1.56   0.006% *  0.2755% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.59 +/- 1.30   0.001% *  0.1120% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 3.61, residual support = 85.3:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.737% * 98.2480% (1.00   3.61  85.29) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  15.36 +/- 2.80   0.222% *  0.2046% (0.38   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE3   TRP   49  22.19 +/- 1.79   0.016% *  0.5343% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  24.65 +/- 1.12   0.008% *  0.4365% (0.80   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  22.56 +/- 1.62   0.015% *  0.2241% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  33.92 +/- 2.00   0.001% *  0.3526% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.80 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.809, support = 0.02, residual support = 79.6:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  87.142% * 16.7579% (0.84   0.02  85.29) =  93.288%  kept
          QD    PHE   55 - HH2   TRP   49   9.89 +/- 1.19  10.799% *  6.8436% (0.34   0.02   0.02) =   4.721%  kept
          QE    PHE   95 - HH2   TRP   49  14.11 +/- 2.81   1.863% * 15.3326% (0.76   0.02   0.02) =   1.825%  kept
          HN    THR   23 - HH2   TRP   49  23.52 +/- 1.86   0.051% * 16.0651% (0.80   0.02   0.02) =   0.053%
          HN    LEU   67 - HH2   TRP   49  24.40 +/- 1.38   0.039% * 20.0629% (1.00   0.02   0.02) =   0.050%
          HD2   HIS   22 - HH2   TRP   49  23.62 +/- 1.88   0.049% * 13.7814% (0.69   0.02   0.02) =   0.043%
          HE3   TRP   27 - HH2   TRP   49  23.76 +/- 1.82   0.050% *  5.5782% (0.28   0.02   0.02) =   0.018%
          HD21  ASN   35 - HH2   TRP   49  32.87 +/- 2.44   0.007% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.20 A violated in 20 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.744, support = 4.16, residual support = 55.9:
          HA    TRP   49 - HD1   TRP   49   3.95 +/- 0.19  48.369% * 46.5810% (0.69   4.97  85.29) =  62.901%  kept
          HA    CYS   50 - HD1   TRP   49   4.90 +/- 1.38  24.527% * 39.5949% (0.87   3.34   2.75) =  27.112%  kept
          HA    ALA   47 - HD1   TRP   49   4.41 +/- 1.00  27.035% * 13.2325% (0.76   1.27  14.90) =   9.987%  kept
          HA1   GLY  109 - HD1   TRP   49  13.91 +/- 2.30   0.041% *  0.2281% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  13.99 +/- 1.52   0.025% *  0.1766% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  19.92 +/- 1.90   0.003% *  0.1329% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.61 +/- 1.21   0.000% *  0.0540% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.50 +/- 0.60 100.000% *100.0000% (0.61   3.86  73.49) = 100.000%  kept
    Distance limit 4.70 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   2.56 +/- 0.59 100.000% *100.0000% (0.98 10.00   3.44  73.49) = 100.000%  kept
    Distance limit 4.74 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 = 4.5:
          HA    ASP-  44 - QD    PHE   95   2.81 +/- 0.94  97.912% * 93.1915% (0.90   2.00   4.50) =  99.985%  kept
          HA    ILE  103 - QD    PHE   95   9.75 +/- 1.27   1.196% *  0.7546% (0.73   0.02   0.02) =   0.010%
          HB    THR   77 - QD    PHE   95  10.25 +/- 1.42   0.198% *  0.8679% (0.84   0.02   0.02) =   0.002%
          HA    LEU  104 - QD    PHE   95  10.84 +/- 1.34   0.512% *  0.2889% (0.28   0.02   0.02) =   0.002%
          HA    SER   85 - QD    PHE   95  13.78 +/- 1.00   0.084% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD    PHE   95  14.53 +/- 0.87   0.050% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  14.88 +/- 0.88   0.015% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.39 +/- 1.11   0.015% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  14.51 +/- 1.48   0.015% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  20.01 +/- 1.35   0.002% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  25.12 +/- 1.85   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  27.97 +/- 1.98   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 1 structures by 0.05 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   2.43 +/- 0.17 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.49) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.56 +/- 0.19  99.932% * 99.8712% (0.99  10.0 10.00   3.31  73.49) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.89 +/- 1.31   0.067% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  20.17 +/- 0.71   0.000% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.922, support = 3.95, residual support = 46.1:
        T HB    VAL  107 - QD    PHE   95   2.88 +/- 1.03  94.157% * 97.3637% (0.92 10.00   3.95  46.21) =  99.853%  kept
          HB3   PHE   45 - QD    PHE   95   6.10 +/- 1.15   5.530% *  2.4372% (0.53  1.00   0.88   1.89) =   0.147%
          QE    LYS+ 112 - QD    PHE   95  10.59 +/- 1.61   0.261% *  0.0555% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   95  13.05 +/- 1.17   0.047% *  0.0555% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  18.09 +/- 0.93   0.005% *  0.0881% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 1 structures by 0.09 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.733, support = 0.735, residual support = 3.78:
          HB3   ASP-  44 - QD    PHE   95   4.03 +/- 1.20  57.415% * 26.0000% (0.76   0.75   4.50) =  68.334%  kept
          HB2   LEU   63 - QD    PHE   95   5.44 +/- 1.12  12.972% * 22.0085% (0.65   0.75   4.98) =  13.069%  kept
          HG3   LYS+ 106 - QD    PHE   95   7.12 +/- 1.42   8.016% * 25.3790% (0.61   0.92   0.10) =   9.313%  kept
          HB3   PRO   93 - QD    PHE   95   5.75 +/- 1.19  12.137% * 10.7585% (1.00   0.24   0.02) =   5.977%  kept
          HB    VAL   42 - QD    PHE   95   6.61 +/- 1.02   6.700% * 10.5006% (0.31   0.75   1.42) =   3.221%  kept
          HG    LEU   98 - QD    PHE   95   8.79 +/- 1.24   1.412% *  0.8755% (0.97   0.02   0.02) =   0.057%
          QB    ALA   84 - QD    PHE   95   9.57 +/- 0.77   0.316% *  0.9052% (1.00   0.02   0.02) =   0.013%
          HG2   LYS+ 111 - QD    PHE   95  10.11 +/- 2.10   0.377% *  0.2800% (0.31   0.02   0.02) =   0.005%
          HB2   LYS+ 112 - QD    PHE   95  11.16 +/- 1.33   0.178% *  0.4416% (0.49   0.02   0.02) =   0.004%
          HB3   LEU   73 - QD    PHE   95  11.87 +/- 1.09   0.147% *  0.3405% (0.38   0.02   0.02) =   0.002%
          HG3   LYS+  65 - QD    PHE   95  11.30 +/- 1.36   0.154% *  0.2800% (0.31   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD    PHE   95  12.61 +/- 1.41   0.071% *  0.4773% (0.53   0.02   0.02) =   0.002%
          QB    ALA  124 - QD    PHE   95  13.88 +/- 0.82   0.038% *  0.8136% (0.90   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  15.12 +/- 1.44   0.031% *  0.3730% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.53 +/- 0.92   0.022% *  0.3405% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.33 +/- 1.26   0.013% *  0.2262% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 3.97, residual support = 46.2:
        T QG2   VAL  107 - QD    PHE   95   2.99 +/- 0.97  96.589% * 99.7831% (0.99 10.00   3.97  46.21) =  99.997%  kept
          HG13  ILE  103 - QD    PHE   95   8.59 +/- 1.44   2.961% *  0.0806% (0.80  1.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QD    PHE   95  10.15 +/- 1.33   0.384% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  12.88 +/- 0.74   0.066% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 1 structures by 0.07 A, kept.
 
    Peak 247 (0.59, 7.02, 132.19 ppm):
    7 chemical-shift based assignments, quality = 0.891, support = 2.15, residual support = 4.41:
          QD1   LEU   63 - QD    PHE   95   3.30 +/- 1.33  73.723% * 35.9825% (0.90  1.00   2.57   4.98) =  78.844%  kept
        T QD2   LEU  115 - QD    PHE   95   6.46 +/- 1.42  10.727% * 54.4380% (0.99 10.00   0.35   1.71) =  17.357%  kept
          QD2   LEU   63 - QD    PHE   95   4.52 +/- 1.30  14.814% *  8.6151% (0.31  1.00   1.79   4.98) =   3.793%  kept
          QD1   LEU  104 - QD    PHE   95   9.28 +/- 1.06   0.337% *  0.2609% (0.84  1.00   0.02   0.02) =   0.003%
          QD1   LEU   73 - QD    PHE   95  10.11 +/- 0.90   0.184% *  0.2801% (0.90  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  11.29 +/- 1.18   0.086% *  0.3062% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  10.77 +/- 1.32   0.129% *  0.1172% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.75, residual support = 1.4:
        T QG1   VAL   42 - QD    PHE   95   4.06 +/- 1.08  88.913% * 88.9894% (0.65 10.00   0.75   1.42) =  99.104%  kept
          QB    ALA   64 - QD    PHE   95   6.67 +/- 0.77   8.035% *  8.0940% (0.53  1.00   0.84   0.02) =   0.815%  kept
        T QB    ALA   47 - QD    PHE   95   8.73 +/- 0.92   2.290% *  2.8034% (0.76 10.00   0.02   0.02) =   0.080%
          HG2   LYS+ 112 - QD    PHE   95  11.22 +/- 1.73   0.761% *  0.1132% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 1 structures by 0.13 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.717, support = 3.68, residual support = 13.6:
          HA    ILE  119 - HD2   HIS  122   2.64 +/- 0.56  94.102% * 50.7962% (0.73   3.63  14.22) =  94.392%  kept
          HA    THR  118 - HD2   HIS  122   4.72 +/- 0.26   5.875% * 48.3376% (0.57   4.43   2.79) =   5.608%  kept
          HD3   PRO   58 - HD2   HIS  122  12.08 +/- 0.89   0.015% *  0.1189% (0.31   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  15.77 +/- 0.65   0.003% *  0.2181% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  16.14 +/- 1.01   0.003% *  0.1071% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  19.07 +/- 0.95   0.001% *  0.1727% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.34 +/- 1.13   0.000% *  0.2492% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 3.48, residual support = 68.4:
      O T HB2   HIS  122 - HD2   HIS  122   3.61 +/- 0.44  99.889% * 99.7225% (0.49  10.0 10.00   3.48  68.40) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.22 +/- 0.51   0.079% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  14.74 +/- 1.20   0.031% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  23.74 +/- 1.28   0.002% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.96, support = 3.84, residual support = 68.1:
      O T HB3   HIS  122 - HD2   HIS  122   3.08 +/- 0.49  89.993% * 85.6185% (0.97  10.0 10.00   3.83  68.40) =  98.176%  kept
          QE    LYS+ 121 - HD2   HIS  122   5.89 +/- 1.38  10.004% * 14.3116% (0.69   1.0  1.00   4.70  50.25) =   1.824%  kept
          HB3   ASP-  78 - HD2   HIS  122  21.29 +/- 1.69   0.001% *  0.0502% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  19.61 +/- 0.91   0.002% *  0.0198% (0.22   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 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.399, support = 0.115, residual support = 0.0199:
          HB3   ASP- 105 - HD2   HIS  122   7.05 +/- 1.81  57.586% * 18.3136% (0.34   0.13   0.02) =  78.588%  kept
          QB    LYS+ 106 - HD2   HIS  122  10.10 +/- 1.25   6.483% * 25.7919% (0.65   0.10   0.02) =  12.460%  kept
          HG3   PRO   68 - HD2   HIS  122   8.58 +/- 2.09  26.637% *  2.0724% (0.25   0.02   0.02) =   4.114%  kept
          HB    ILE   56 - HD2   HIS  122  12.05 +/- 1.75   6.110% *  8.1464% (0.98   0.02   0.02) =   3.709%  kept
          HB3   PRO   58 - HD2   HIS  122  12.69 +/- 0.92   1.650% *  5.0409% (0.61   0.02   0.02) =   0.620%  kept
          HB2   MET   92 - HD2   HIS  122  17.63 +/- 0.99   0.246% *  6.6549% (0.80   0.02   0.02) =   0.122%
          HB    ILE  103 - HD2   HIS  122  14.47 +/- 1.64   0.573% *  2.3108% (0.28   0.02   0.02) =   0.099%
          HB3   GLN   30 - HD2   HIS  122  18.63 +/- 1.46   0.164% *  7.6720% (0.92   0.02   0.02) =   0.094%
          HB3   LYS+  38 - HD2   HIS  122  18.40 +/- 1.50   0.139% *  8.2925% (1.00   0.02   0.02) =   0.086%
          QB    LYS+  33 - HD2   HIS  122  18.64 +/- 0.84   0.138% *  3.7261% (0.45   0.02   0.02) =   0.038%
          HG2   ARG+  54 - HD2   HIS  122  19.24 +/- 1.63   0.159% *  2.5652% (0.31   0.02   0.02) =   0.030%
          QB    LYS+  81 - HD2   HIS  122  21.81 +/- 0.75   0.055% *  5.0409% (0.61   0.02   0.02) =   0.021%
          HB3   GLN   90 - HD2   HIS  122  21.54 +/- 1.05   0.060% *  4.3726% (0.53   0.02   0.02) =   0.020%
    Distance limit 4.81 A violated in 10 structures by 1.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.916, support = 5.78, residual support = 49.9:
          HB2   LYS+ 121 - HD2   HIS  122   3.96 +/- 0.46  95.560% * 68.8251% (0.92   5.80  50.25) =  98.327%  kept
          HB2   LEU  123 - HD2   HIS  122   7.12 +/- 0.63   3.749% * 29.8230% (0.53   4.41  31.18) =   1.672%  kept
          QD    LYS+  65 - HD2   HIS  122  11.67 +/- 1.21   0.251% *  0.2431% (0.95   0.02   0.02) =   0.001%
          HG3   PRO   93 - HD2   HIS  122  14.00 +/- 1.16   0.079% *  0.1455% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  14.24 +/- 1.59   0.075% *  0.0965% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  16.17 +/- 2.06   0.035% *  0.1964% (0.76   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.29 +/- 0.92   0.169% *  0.0397% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.34 +/- 1.51   0.018% *  0.2565% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.80 +/- 1.05   0.031% *  0.0715% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  20.01 +/- 1.39   0.008% *  0.2519% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  16.48 +/- 0.87   0.026% *  0.0509% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.87, support = 4.84, residual support = 50.2:
          HB3   LYS+ 121 - HD2   HIS  122   4.51 +/- 0.95  58.152% * 71.3735% (1.00   4.73  50.25) =  80.497%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.02 +/- 1.49  36.829% * 27.2739% (0.34   5.29  50.25) =  19.481%  kept
          QD    LYS+  66 - HD2   HIS  122   8.17 +/- 2.09   4.338% *  0.2194% (0.73   0.02   0.02) =   0.018%
          HG    LEU  104 - HD2   HIS  122  11.24 +/- 2.20   0.282% *  0.3015% (1.00   0.02   0.02) =   0.002%
          HB3   LYS+ 111 - HD2   HIS  122  13.50 +/- 1.44   0.076% *  0.2916% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  11.73 +/- 1.29   0.245% *  0.0840% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  14.68 +/- 1.65   0.056% *  0.2858% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.38 +/- 1.66   0.009% *  0.1031% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.11 +/- 0.78   0.012% *  0.0673% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.232, support = 3.2, residual support = 13.2:
          QG2   ILE  119 - HD2   HIS  122   4.20 +/- 0.53  73.746% * 63.3674% (0.18  1.00   3.44  14.22) =  92.798%  kept
          QD1   LEU   67 - HD2   HIS  122   7.34 +/- 2.71  20.389% * 17.1657% (1.00  1.00   0.16   0.11) =   6.950%  kept
          QD2   LEU   40 - HD2   HIS  122   7.61 +/- 1.45   5.095% *  2.1061% (1.00  1.00   0.02   0.36) =   0.213%
        T HB    VAL   75 - HD2   HIS  122  13.06 +/- 0.60   0.075% * 11.9237% (0.57 10.00   0.02   0.02) =   0.018%
          QG2   ILE  103 - HD2   HIS  122  10.58 +/- 1.42   0.407% *  2.0325% (0.97  1.00   0.02   0.02) =   0.016%
          QD2   LEU   71 - HD2   HIS  122  12.48 +/- 1.10   0.129% *  0.8658% (0.41  1.00   0.02   0.02) =   0.002%
          QD1   ILE  103 - HD2   HIS  122  12.33 +/- 1.19   0.130% *  0.6500% (0.31  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HD2   HIS  122  15.48 +/- 1.25   0.028% *  1.8888% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 0 structures by 0.01 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.486, support = 4.61, residual support = 31.1:
          QD1   LEU  123 - HD2   HIS  122   4.80 +/- 0.42  67.815% * 53.3869% (0.49   4.65  31.18) =  94.130%  kept
          QD2   LEU  123 - HD2   HIS  122   7.39 +/- 0.30   4.845% * 45.7651% (0.49   3.99  31.18) =   5.765%  kept
          QG1   VAL   70 - HD2   HIS  122   6.10 +/- 1.10  24.036% *  0.1311% (0.28   0.02   0.02) =   0.082%
          HB3   LEU  104 - HD2   HIS  122   9.90 +/- 2.30   1.929% *  0.3940% (0.84   0.02   0.02) =   0.020%
          QG1   VAL   18 - HD2   HIS  122   9.92 +/- 1.23   1.144% *  0.0933% (0.20   0.02   0.02) =   0.003%
          QD1   LEU   71 - HD2   HIS  122  12.69 +/- 1.26   0.232% *  0.2296% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.982, residual support = 2.79:
        T QG2   THR  118 - HD2   HIS  122   3.32 +/- 0.10 100.000% *100.0000% (0.69 10.00   0.98   2.79) = 100.000%  kept
    Distance limit 3.43 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 = 0.93, support = 1.49, residual support = 28.5:
          HB3   LEU   73 - HE3   TRP   27   4.20 +/- 0.80  77.962% * 81.9911% (0.94   1.50  28.73) =  99.039%  kept
          HG3   LYS+  65 - HN    LEU   67   6.37 +/- 0.61   8.129% *  7.0213% (0.15   0.80   0.02) =   0.884%  kept
          HG3   LYS+  33 - HE3   TRP   27   9.26 +/- 1.10   1.174% *  1.1531% (0.99   0.02   0.02) =   0.021%
          HB    VAL   42 - HN    LEU   67   7.21 +/- 0.88   4.598% *  0.1763% (0.15   0.02   0.02) =   0.013%
          QB    LEU   98 - HE3   TRP   27   9.41 +/- 0.94   1.078% *  0.6543% (0.56   0.02   0.02) =   0.011%
          HB    VAL   42 - HE3   TRP   27  10.39 +/- 0.64   0.496% *  1.1328% (0.97   0.02   0.02) =   0.009%
          HB3   LYS+  74 - HE3   TRP   27   8.40 +/- 0.62   1.505% *  0.3567% (0.31   0.02   0.02) =   0.008%
          HB2   LEU   80 - HE3   TRP   27   8.23 +/- 0.96   2.196% *  0.2024% (0.17   0.02   4.84) =   0.007%
          HG    LEU   98 - HE3   TRP   27   9.53 +/- 1.07   1.156% *  0.1564% (0.13   0.02   0.02) =   0.003%
          QB    ALA   84 - HE3   TRP   27  10.65 +/- 0.82   0.426% *  0.2287% (0.20   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HE3   TRP   27  15.84 +/- 1.39   0.041% *  1.1328% (0.97   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HE3   TRP   27  16.48 +/- 1.95   0.041% *  1.0668% (0.91   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - HE3   TRP   27  15.67 +/- 1.22   0.044% *  0.8832% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  12.79 +/- 0.92   0.167% *  0.1701% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  17.35 +/- 1.90   0.023% *  0.9653% (0.83   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  11.92 +/- 1.24   0.274% *  0.0555% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  12.70 +/- 2.47   0.253% *  0.0500% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  13.20 +/- 0.89   0.100% *  0.1018% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  15.88 +/- 2.14   0.062% *  0.1374% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.63 +/- 1.45   0.031% *  0.1794% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  17.90 +/- 0.57   0.018% *  0.2573% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  16.67 +/- 2.31   0.026% *  0.1502% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  20.26 +/- 2.51   0.012% *  0.3213% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  13.65 +/- 1.00   0.091% *  0.0243% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.93 +/- 1.08   0.011% *  0.1560% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  15.27 +/- 0.68   0.043% *  0.0400% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  26.31 +/- 1.28   0.002% *  1.0025% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.62 +/- 1.36   0.007% *  0.1660% (0.14   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  17.43 +/- 0.64   0.020% *  0.0356% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  18.77 +/- 1.30   0.014% *  0.0315% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.01 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    107
      with multiple volume contributions     :     93
      eliminated by violation filter         :      9
 
    Peaks:
      selected                               :    240
      without assignment                     :     26
      with assignment                        :    214
      with unique assignment                 :    134
      with multiple assignment               :     80
      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             :    182
 
    Atoms with eliminated volume contribution > 2.5: